2-bromo-6-[[cyclohexyl(methyl)amino]methyl]benzene-1,4-diamine

C14H22BrN3 — CID 89199659

IUPAC2-bromo-6-[[cyclohexyl(methyl)amino]methyl]benzene-1,4-diamine
SMILESCN(Cc1cc(N)cc(Br)c1N)C1CCCCC1
InChIInChI=1S/C14H22BrN3/c1-18(12-5-3-2-4-6-12)9-10-7-11(16)8-13(15)14(10)17/h7-8,12H,2-6,9,16-17H2,1H3
InChIKeyGDNUPVFDZLMGMU-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.38
Rot. Bonds3

About 2-bromo-6-[[cyclohexyl(methyl)amino]methyl]benzene-1,4-diamine

2-bromo-6-[[cyclohexyl(methyl)amino]methyl]benzene-1,4-diamine (PubChem CID 89199659) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-bromo-6-[[cyclohexyl(methyl)amino]methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-bromo-6-[[cyclohexyl(methyl)amino]methyl]benzene-1,4-diamine
PubChem CID89199659
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name2-bromo-6-[[cyclohexyl(methyl)amino]methyl]benzene-1,4-diamine
SMILESCN(Cc1cc(N)cc(Br)c1N)C1CCCCC1
InChIInChI=1S/C14H22BrN3/c1-18(12-5-3-2-4-6-12)9-10-7-11(16)8-13(15)14(10)17/h7-8,12H,2-6,9,16-17H2,1H3
InChIKeyGDNUPVFDZLMGMU-UHFFFAOYSA-N
XLogP3.38
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-bromo-6-[[cyclohexyl(methyl)amino]methyl]benzene-1,4-diamine 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-bromo-6-[(dimethylamino)methyl]benzene-1,4-diamine
CID 89199657
N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 64768656
2,4-dibromo-6-[[cyclohexyl(methyl)amino]-ditritiomethyl]aniline
CID 11291924
3,6-dibromo-2-[[cyclohexyl(methyl)amino]methyl]aniline
CID 157096495
4-chloro-2-[[cyclohexyl(methyl)amino]methyl]aniline
CID 79583096
N-[(4-amino-2-bromophenyl)methyl]-N-methyloxan-4-amine
CID 60790714
N-[(4-bromo-2-chlorophenyl)methyl]-N-methylcycloheptanamine
CID 113471328
N-[(4-amino-2-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 55004493
2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 43266778
4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 79583179
7-[[cycloheptyl(methyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43613817
4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline
CID 43264518

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[cyclohexyl(methyl)amino]methyl]benzene-1,4-diamine?
The IUPAC name of 2-bromo-6-[[cyclohexyl(methyl)amino]methyl]benzene-1,4-diamine (CID 89199659) is 2-bromo-6-[[cyclohexyl(methyl)amino]methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-bromo-6-[[cyclohexyl(methyl)amino]methyl]benzene-1,4-diamine?
The canonical SMILES for 2-bromo-6-[[cyclohexyl(methyl)amino]methyl]benzene-1,4-diamine is CN(Cc1cc(N)cc(Br)c1N)C1CCCCC1.
What is the InChIKey of 2-bromo-6-[[cyclohexyl(methyl)amino]methyl]benzene-1,4-diamine?
The InChIKey is GDNUPVFDZLMGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-18(12-5-3-2-4-6-12)9-10-7-11(16)8-13(15)14(10)17/h7-8,12H,2-6,9,16-17H2,1H3.
What are the key properties of 2-bromo-6-[[cyclohexyl(methyl)amino]methyl]benzene-1,4-diamine?
2-bromo-6-[[cyclohexyl(methyl)amino]methyl]benzene-1,4-diamine has a molecular weight of 312.25 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[cyclohexyl(methyl)amino]methyl]benzene-1,4-diamine is sourced from PubChem (CID 89199659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).