N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine

C19H29N — CID 79983931

IUPACN-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
SMILESCC1CCC(CCNCc2ccccc2C2CC2)CC1
InChIInChI=1S/C19H29N/c1-15-6-8-16(9-7-15)12-13-20-14-18-4-2-3-5-19(18)17-10-11-17/h2-5,15-17,20H,6-14H2,1H3
InChIKeyOMXAUNLOUZVEFK-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.87
Rot. Bonds6

About N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine

N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine (PubChem CID 79983931) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
PubChem CID79983931
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
SMILESCC1CCC(CCNCc2ccccc2C2CC2)CC1
InChIInChI=1S/C19H29N/c1-15-6-8-16(9-7-15)12-13-20-14-18-4-2-3-5-19(18)17-10-11-17/h2-5,15-17,20H,6-14H2,1H3
InChIKeyOMXAUNLOUZVEFK-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine 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-[[2-(4-methylcyclohexyl)ethylamino]methyl]aniline
CID 66419053
N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979438
1-[(2-cyclopropylphenyl)methylamino]-2-methylpropan-2-ol
CID 79888885
N-[(2-cyclopropylphenyl)methyl]-2-methylpropan-2-amine
CID 79888960
N-[(2-cyclopropylphenyl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491475
N-[(2-cyclopropylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79889119
N-[(2-cyclopropylphenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 79889051
2-[(2-cyclopropylphenyl)methylamino]-N-ethylethanesulfonamide
CID 103739342
1-[(2-cyclopropylphenyl)methylamino]-2-methylpentan-2-ol
CID 113252298
2-methyl-1-[2-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117366373
N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 65323609
N-[3-[(2-cyclopropylphenyl)methylamino]propyl]methanesulfonamide
CID 103739279

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine (CID 79983931) is N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine is CC1CCC(CCNCc2ccccc2C2CC2)CC1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine?
The InChIKey is OMXAUNLOUZVEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-15-6-8-16(9-7-15)12-13-20-14-18-4-2-3-5-19(18)17-10-11-17/h2-5,15-17,20H,6-14H2,1H3.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine?
N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine has a molecular weight of 271.45 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine is sourced from PubChem (CID 79983931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).