2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline

C15H22BrN — CID 107081482

IUPAC2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(N(C)c2ccccc2CBr)C1
InChIInChI=1S/C15H22BrN/c1-12-6-5-8-14(10-12)17(2)15-9-4-3-7-13(15)11-16/h3-4,7,9,12,14H,5-6,8,10-11H2,1-2H3
InChIKeyWFOICBYKJPFKER-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.60
Rot. Bonds3

About 2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline

2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline (PubChem CID 107081482) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
PubChem CID107081482
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(N(C)c2ccccc2CBr)C1
InChIInChI=1S/C15H22BrN/c1-12-6-5-8-14(10-12)17(2)15-9-4-3-7-13(15)11-16/h3-4,7,9,12,14H,5-6,8,10-11H2,1-2H3
InChIKeyWFOICBYKJPFKER-UHFFFAOYSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline 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-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 61446202
N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 63551560
3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)quinolin-2-amine
CID 107081479
4-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
CID 107081489
(1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol
CID 103959887
2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 103958672
4-chloro-2-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
CID 114846499
3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine
CID 107081480
[5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 114845376
2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline
CID 63539775
2-(2-aminoethyl)-3-chloro-N-methyl-N-(3-methylcyclohexyl)aniline
CID 55235233
4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline
CID 114849226

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline (CID 107081482) is 2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline is CC1CCCC(N(C)c2ccccc2CBr)C1.
What is the InChIKey of 2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline?
The InChIKey is WFOICBYKJPFKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-12-6-5-8-14(10-12)17(2)15-9-4-3-7-13(15)11-16/h3-4,7,9,12,14H,5-6,8,10-11H2,1-2H3.
What are the key properties of 2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline?
2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline has a molecular weight of 296.25 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 107081482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).