2-cyclohexyl-6-[(diethylamino)methyl]-4-(2-phenylpropan-2-yl)phenol 5442-67-1

Details:

【Name】
2-cyclohexyl-6-[(diethylamino)methyl]-4-(2-phenylpropan-2-yl)phenol
【Iupac name】
2-cyclohexyl-6-(diethylaminomethyl)-4-(2-phenylpropan-2-yl)phenol
【CAS Registry number】
5442-67-1
【Synonyms】
2-cyclohexyl-6-[(diethylamino)methyl]-4-(2-phenylpropan-2-yl)phenol
5442-67-1
NSC13109
AC1L5DDO
AC1Q79JF
AR-1E0962
NSC-13109
2-cyclohexyl-6-(diethylaminomethyl)-4-(2-phenylpropan-2-yl)phenol
【Molecular Formula】
C26H37NO (Products with the same molecular formula)
【Molecular Weight】
379.5781
【Inchi】
InChI=1/C26H37NO/c1-5-27(6-2)19-21-17-23(26(3,4)22-15-11-8-12-16-22)18-24(25(21)28)20-13-9-7-10-14-20/h8,11-12,15-18,20,28H,5-7,9-10,13-14,19H2,1-4H3
【Canonical SMILES】
CCN(CC)CC1=C(C(=CC(=C1)C(C)(C)C2=CC=CC=C2)C3CCCCC3)O
【MOL File】
5442-67-1.mol
Chemical and Physical Properties
【Density】
1.02g/cm3
【Boiling Point】
443.4°C at 760 mmHg
【Refractive Index】
1.554
【Flash Point】
170.6°C
【Computed Properties】
Molecular Weight:379.57808 [g/mol]
Molecular Formula:C26H37NO
XLogP3-AA:7.5
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:7
Tautomer Count:3
Exact Mass:379.287515
MonoIsotopic Mass:379.287515
Topological Polar Surface Area:23.5
Heavy Atom Count:28
Formal Charge:0
Complexity:445
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:3
Effective Rotor Count:8.2
Conformer Sampling RMSD:1
CID Conformer Count:58