[2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol

C14H19Br2NO — CID 113255328

IUPAC[2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCc1ccc(Br)c(Br)c1
InChIInChI=1S/C14H19Br2NO/c15-12-6-5-10(7-13(12)16)8-17-14-4-2-1-3-11(14)9-18/h5-7,11,14,17-18H,1-4,8-9H2
InChIKeyRLWXMMSKYAHACU-UHFFFAOYSA-N
MW377.12 g/mol
LogP3.85
Rot. Bonds4

About [2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol

[2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol (PubChem CID 113255328) has the molecular formula C14H19Br2NO and a molecular weight of 377.12 g/mol. Its IUPAC name is [2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol
PubChem CID113255328
Molecular FormulaC14H19Br2NO
Molecular Weight377.12 g/mol
Exact Mass374.98
IUPAC Name[2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCc1ccc(Br)c(Br)c1
InChIInChI=1S/C14H19Br2NO/c15-12-6-5-10(7-13(12)16)8-17-14-4-2-1-3-11(14)9-18/h5-7,11,14,17-18H,1-4,8-9H2
InChIKeyRLWXMMSKYAHACU-UHFFFAOYSA-N
XLogP3.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol 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

2-fluoro-5-[[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]methyl]benzonitrile
CID 99610411
[2-[(4-cyclopropylphenyl)methylamino]cyclopentyl]methanol
CID 106359397
2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile
CID 113429756
[2-[(4,5-dibromofuran-2-yl)methylamino]cyclopentyl]methanol
CID 106359455
[2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol
CID 113338463
[2-(furan-3-ylmethylamino)cycloheptyl]methanol
CID 115691389
[2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 111440221
3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid
CID 106362458
[2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700320
[2-(pyridin-3-ylmethylamino)cyclohexyl]methanol
CID 111440219
[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol
CID 103838416
N-[(4-bromo-3-nitrophenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43434117

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol?
The IUPAC name of [2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol (CID 113255328) is [2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol is OCC1CCCCC1NCc1ccc(Br)c(Br)c1.
What is the InChIKey of [2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol?
The InChIKey is RLWXMMSKYAHACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO/c15-12-6-5-10(7-13(12)16)8-17-14-4-2-1-3-11(14)9-18/h5-7,11,14,17-18H,1-4,8-9H2.
What are the key properties of [2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol?
[2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol has a molecular weight of 377.12 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 113255328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).