4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol

C15H22BrNO — CID 114146962

IUPAC4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1CCC(O)CC1)c1ccccc1Br
InChIInChI=1S/C15H22BrNO/c1-11(14-4-2-3-5-15(14)16)17-10-12-6-8-13(18)9-7-12/h2-5,11-13,17-18H,6-10H2,1H3
InChIKeyYBJGGUGFYAKEOX-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.65
Rot. Bonds4

About 4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol

4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 114146962) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID114146962
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1CCC(O)CC1)c1ccccc1Br
InChIInChI=1S/C15H22BrNO/c1-11(14-4-2-3-5-15(14)16)17-10-12-6-8-13(18)9-7-12/h2-5,11-13,17-18H,6-10H2,1H3
InChIKeyYBJGGUGFYAKEOX-UHFFFAOYSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol 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

(1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81378377
(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
CID 81383462
1-(2-bromophenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115625440
(1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81383485
(1S)-1-(2-bromophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132284
1-(2-bromophenyl)-N-(thian-3-ylmethyl)ethanamine
CID 114282776
1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
CID 113234990
(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81379189
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol
CID 63294580
(1R)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383657
(1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383986

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol (CID 114146962) is 4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol is CC(NCC1CCC(O)CC1)c1ccccc1Br.
What is the InChIKey of 4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is YBJGGUGFYAKEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11(14-4-2-3-5-15(14)16)17-10-12-6-8-13(18)9-7-12/h2-5,11-13,17-18H,6-10H2,1H3.
What are the key properties of 4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol?
4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 312.25 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 114146962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).