1-[4-bromo-2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]ethanol

C17H26BrNO — CID 82971025

IUPAC1-[4-bromo-2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1N(C)C1CCC(C)(C)CC1
InChIInChI=1S/C17H26BrNO/c1-12(20)15-6-5-13(18)11-16(15)19(4)14-7-9-17(2,3)10-8-14/h5-6,11-12,14,20H,7-10H2,1-4H3
InChIKeyOACBVOUKHFWRBC-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.91
Rot. Bonds3

About 1-[4-bromo-2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]ethanol

1-[4-bromo-2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]ethanol (PubChem CID 82971025) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-[4-bromo-2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]ethanol
PubChem CID82971025
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name1-[4-bromo-2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1N(C)C1CCC(C)(C)CC1
InChIInChI=1S/C17H26BrNO/c1-12(20)15-6-5-13(18)11-16(15)19(4)14-7-9-17(2,3)10-8-14/h5-6,11-12,14,20H,7-10H2,1-4H3
InChIKeyOACBVOUKHFWRBC-UHFFFAOYSA-N
XLogP4.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol
CID 82969824
4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
CID 65343671
1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol
CID 82971146
(1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol
CID 103960276
1-[4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]ethanol
CID 82969604
N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine
CID 82971887
N-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-N-methyloxolan-3-amine
CID 82967908
(1S)-1-[2-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370690
1-[4-bromo-2-[cyclopropyl(methyl)amino]phenyl]ethanone
CID 82966870
N-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine
CID 82968010
5-bromo-2-[(1S)-1-hydroxyethyl]phenol
CID 102949153
4-bromo-N-(4,4-dimethylcyclohexyl)-N-methyl-2-sulfanylbenzamide
CID 107032506

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]ethanol (CID 82971025) is 1-[4-bromo-2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]ethanol is CC(O)c1ccc(Br)cc1N(C)C1CCC(C)(C)CC1.
What is the InChIKey of 1-[4-bromo-2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]ethanol?
The InChIKey is OACBVOUKHFWRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-12(20)15-6-5-13(18)11-16(15)19(4)14-7-9-17(2,3)10-8-14/h5-6,11-12,14,20H,7-10H2,1-4H3.
What are the key properties of 1-[4-bromo-2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]ethanol?
1-[4-bromo-2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]ethanol has a molecular weight of 340.31 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]ethanol is sourced from PubChem (CID 82971025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).