2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol

C17H26BrNO — CID 79074463

IUPAC2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol
SMILESCC1CCCC(C(O)Cc2ccccc2Br)(N(C)C)C1
InChIInChI=1S/C17H26BrNO/c1-13-7-6-10-17(12-13,19(2)3)16(20)11-14-8-4-5-9-15(14)18/h4-5,8-9,13,16,20H,6-7,10-12H2,1-3H3
InChIKeyYXLBKXXNXWQRLU-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.86
Rot. Bonds4

About 2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol

2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol (PubChem CID 79074463) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol
PubChem CID79074463
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol
SMILESCC1CCCC(C(O)Cc2ccccc2Br)(N(C)C)C1
InChIInChI=1S/C17H26BrNO/c1-13-7-6-10-17(12-13,19(2)3)16(20)11-14-8-4-5-9-15(14)18/h4-5,8-9,13,16,20H,6-7,10-12H2,1-3H3
InChIKeyYXLBKXXNXWQRLU-UHFFFAOYSA-N
XLogP3.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243735
1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066221
1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243555
1-[2-(2-fluorophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243637
2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol
CID 55187545
1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065996
[1-(dimethylamino)-3-methylcyclohexyl]-(3-methylphenyl)methanol
CID 79074534
cyclohexyl-[1-(dimethylamino)-3-methylcyclohexyl]methanol
CID 79074385
[1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65394458
1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol
CID 79074275
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol
CID 79063068
(3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol
CID 79075052

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol?
The IUPAC name of 2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol (CID 79074463) is 2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol.
What is the SMILES notation for 2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol?
The canonical SMILES for 2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol is CC1CCCC(C(O)Cc2ccccc2Br)(N(C)C)C1.
What is the InChIKey of 2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol?
The InChIKey is YXLBKXXNXWQRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-13-7-6-10-17(12-13,19(2)3)16(20)11-14-8-4-5-9-15(14)18/h4-5,8-9,13,16,20H,6-7,10-12H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol?
2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol has a molecular weight of 340.31 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol is sourced from PubChem (CID 79074463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).