3-bromo-2-methyl-N-[(4-methylcyclohexyl)methyl]aniline

C15H22BrN — CID 107629684

IUPAC3-bromo-2-methyl-N-[(4-methylcyclohexyl)methyl]aniline
SMILESCc1c(Br)cccc1NCC1CCC(C)CC1
InChIInChI=1S/C15H22BrN/c1-11-6-8-13(9-7-11)10-17-15-5-3-4-14(16)12(15)2/h3-5,11,13,17H,6-10H2,1-2H3
InChIKeyQCXWRNAGIHAMGP-UHFFFAOYSA-N
MW296.25 g/mol
LogP5.00
Rot. Bonds3

About 3-bromo-2-methyl-N-[(4-methylcyclohexyl)methyl]aniline

3-bromo-2-methyl-N-[(4-methylcyclohexyl)methyl]aniline (PubChem CID 107629684) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 3-bromo-2-methyl-N-[(4-methylcyclohexyl)methyl]aniline.

Molecular Properties

Compound Name3-bromo-2-methyl-N-[(4-methylcyclohexyl)methyl]aniline
PubChem CID107629684
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name3-bromo-2-methyl-N-[(4-methylcyclohexyl)methyl]aniline
SMILESCc1c(Br)cccc1NCC1CCC(C)CC1
InChIInChI=1S/C15H22BrN/c1-11-6-8-13(9-7-11)10-17-15-5-3-4-14(16)12(15)2/h3-5,11,13,17H,6-10H2,1-2H3
InChIKeyQCXWRNAGIHAMGP-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-bromo-2-methyl-N-[(4-methylcyclohexyl)methyl]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

3-bromo-2-methyl-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 107629665
3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline
CID 114258327
2-methyl-N-[(4-methylcyclohexyl)methyl]pyridin-3-amine
CID 79042072
3-chloro-1-N-[(4-methylcyclohexyl)methyl]benzene-1,2-diamine
CID 113458634
N-(cyclobutylmethyl)-2,3-dimethylaniline
CID 65458031
3-bromo-2-methyl-N-(3-methylcyclopentyl)aniline
CID 107629941
2-bromo-N-[(4-tert-butylcyclohexyl)methyl]aniline
CID 104574749
2-bromo-N-(cyclobutylmethyl)aniline
CID 65457106
N-(cyclopropylmethyl)-2-fluoro-3-methylaniline
CID 130165755
3-bromo-N-[(4-cyclopropylphenyl)methyl]-2-methylaniline
CID 107629796
3-bromo-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylaniline
CID 107633521
3-bromo-4-[(4-methylcyclohexyl)methylamino]benzenecarbothioamide
CID 82804459

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-N-[(4-methylcyclohexyl)methyl]aniline?
The IUPAC name of 3-bromo-2-methyl-N-[(4-methylcyclohexyl)methyl]aniline (CID 107629684) is 3-bromo-2-methyl-N-[(4-methylcyclohexyl)methyl]aniline.
What is the SMILES notation for 3-bromo-2-methyl-N-[(4-methylcyclohexyl)methyl]aniline?
The canonical SMILES for 3-bromo-2-methyl-N-[(4-methylcyclohexyl)methyl]aniline is Cc1c(Br)cccc1NCC1CCC(C)CC1.
What is the InChIKey of 3-bromo-2-methyl-N-[(4-methylcyclohexyl)methyl]aniline?
The InChIKey is QCXWRNAGIHAMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-11-6-8-13(9-7-11)10-17-15-5-3-4-14(16)12(15)2/h3-5,11,13,17H,6-10H2,1-2H3.
What are the key properties of 3-bromo-2-methyl-N-[(4-methylcyclohexyl)methyl]aniline?
3-bromo-2-methyl-N-[(4-methylcyclohexyl)methyl]aniline has a molecular weight of 296.25 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-N-[(4-methylcyclohexyl)methyl]aniline is sourced from PubChem (CID 107629684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).