2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine

C17H27N — CID 43079704

IUPAC2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
SMILESCCC(NC1CCCCC1C)c1ccc(C)cc1
InChIInChI=1S/C17H27N/c1-4-16(15-11-9-13(2)10-12-15)18-17-8-6-5-7-14(17)3/h9-12,14,16-18H,4-8H2,1-3H3
InChIKeyCUWOMBAHGBXTBK-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.61
Rot. Bonds4

About 2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine

2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine (PubChem CID 43079704) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
PubChem CID43079704
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
SMILESCCC(NC1CCCCC1C)c1ccc(C)cc1
InChIInChI=1S/C17H27N/c1-4-16(15-11-9-13(2)10-12-15)18-17-8-6-5-7-14(17)3/h9-12,14,16-18H,4-8H2,1-3H3
InChIKeyCUWOMBAHGBXTBK-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-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

N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine
CID 43080624
2-methyl-N-[1-(4-methylphenyl)propyl]cyclopropan-1-amine
CID 62397495
2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
CID 63994661
N-[1-(4-chlorophenyl)propyl]-2,3-dimethylcyclohexan-1-amine
CID 43103111
N-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752400
N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine
CID 81386303
2,6-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81350260
N-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine
CID 63462773
N-[1-(2,4-dichlorophenyl)propyl]-2-methylcyclopentan-1-amine
CID 63463585
N-[1-(4-fluorophenyl)propyl]-2-methylcyclopropan-1-amine
CID 62397881
4-[1-[(2-methylcyclopropyl)amino]propyl]phenol
CID 62398897
N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine
CID 63994473

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine (CID 43079704) is 2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine is CCC(NC1CCCCC1C)c1ccc(C)cc1.
What is the InChIKey of 2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine?
The InChIKey is CUWOMBAHGBXTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-16(15-11-9-13(2)10-12-15)18-17-8-6-5-7-14(17)3/h9-12,14,16-18H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine?
2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 43079704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).