1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine

C16H24BrN — CID 104991936

IUPAC1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCNC(c1ccc(Br)cc1C)C1CCCC(C)C1
InChIInChI=1S/C16H24BrN/c1-11-5-4-6-13(9-11)16(18-3)15-8-7-14(17)10-12(15)2/h7-8,10-11,13,16,18H,4-6,9H2,1-3H3
InChIKeyIEGPNAOQVNEYDH-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.84
Rot. Bonds3

About 1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine

1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine (PubChem CID 104991936) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
PubChem CID104991936
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCNC(c1ccc(Br)cc1C)C1CCCC(C)C1
InChIInChI=1S/C16H24BrN/c1-11-5-4-6-13(9-11)16(18-3)15-8-7-14(17)10-12(15)2/h7-8,10-11,13,16,18H,4-6,9H2,1-3H3
InChIKeyIEGPNAOQVNEYDH-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine 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

1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980955
N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104992020
1-(2-bromo-4-chlorophenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 107993641
1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 55091680
N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 65313720
N-methyl-1-(3-methylcyclohexyl)-1-(3-methylfuran-2-yl)methanamine
CID 104804739
1-(5-bromo-2-fluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 114894811
[(3-bromophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105197926
1-(3-ethylcyclohexyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 65415754
2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 55186434
[(2-bromo-3-methylphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 107986073
2-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 63414740

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine (CID 104991936) is 1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine is CNC(c1ccc(Br)cc1C)C1CCCC(C)C1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The InChIKey is IEGPNAOQVNEYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-11-5-4-6-13(9-11)16(18-3)15-8-7-14(17)10-12(15)2/h7-8,10-11,13,16,18H,4-6,9H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine has a molecular weight of 310.28 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 104991936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).