N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine

C18H28BrN — CID 104992020

IUPACN-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1C)C1CCCC(C)C1
InChIInChI=1S/C18H28BrN/c1-4-10-20-18(15-7-5-6-13(2)11-15)17-9-8-16(19)12-14(17)3/h8-9,12-13,15,18,20H,4-7,10-11H2,1-3H3
InChIKeyFIZOXHJGCBDTQJ-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.62
Rot. Bonds5

About N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine

N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine (PubChem CID 104992020) has the molecular formula C18H28BrN and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
PubChem CID104992020
Molecular FormulaC18H28BrN
Molecular Weight338.33 g/mol
Exact Mass337.14
IUPAC NameN-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1C)C1CCCC(C)C1
InChIInChI=1S/C18H28BrN/c1-4-10-20-18(15-7-5-6-13(2)11-15)17-9-8-16(19)12-14(17)3/h8-9,12-13,15,18,20H,4-7,10-11H2,1-3H3
InChIKeyFIZOXHJGCBDTQJ-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine 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)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 104991936
N-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415003
N-[(4-fluoro-2-methylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415409
N-[(5-bromo-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]propan-1-amine
CID 104988636
N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495555
N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 65313720
N-[(4-bromo-2-fluorophenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 114906767
N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine
CID 43493938
N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 65018552
N-[(4-bromo-2-fluorophenyl)-cyclohexylmethyl]propan-1-amine
CID 114906699
N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine
CID 107946084
N-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine
CID 63415854

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine (CID 104992020) is N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine is CCCNC(c1ccc(Br)cc1C)C1CCCC(C)C1.
What is the InChIKey of N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine?
The InChIKey is FIZOXHJGCBDTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN/c1-4-10-20-18(15-7-5-6-13(2)11-15)17-9-8-16(19)12-14(17)3/h8-9,12-13,15,18,20H,4-7,10-11H2,1-3H3.
What are the key properties of N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine?
N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine has a molecular weight of 338.33 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 104992020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).