N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine

C19H30ClN — CID 106869656

IUPACN-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
SMILESCc1ccc(CC(CNCC(C)C)C2CCCC2)c(Cl)c1
InChIInChI=1S/C19H30ClN/c1-14(2)12-21-13-18(16-6-4-5-7-16)11-17-9-8-15(3)10-19(17)20/h8-10,14,16,18,21H,4-7,11-13H2,1-3H3
InChIKeyOYKSEVLMJWMLFB-UHFFFAOYSA-N
MW307.91 g/mol
LogP5.24
Rot. Bonds7

About N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine

N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine (PubChem CID 106869656) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
PubChem CID106869656
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC NameN-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
SMILESCc1ccc(CC(CNCC(C)C)C2CCCC2)c(Cl)c1
InChIInChI=1S/C19H30ClN/c1-14(2)12-21-13-18(16-6-4-5-7-16)11-17-9-8-15(3)10-19(17)20/h8-10,14,16,18,21H,4-7,11-13H2,1-3H3
InChIKeyOYKSEVLMJWMLFB-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.91
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-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

2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine
CID 106866254
2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine
CID 106866447
2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine
CID 106866830
2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine
CID 106867704
N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine
CID 104819290
N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 82932989
N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 115926878
N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine
CID 105408541
N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 106869510
4-(2-chloro-4-methylphenyl)-3-methyl-N-propan-2-ylbutan-2-amine
CID 106869681
3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82934267
1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine
CID 106865986

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine (CID 106869656) is N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine is Cc1ccc(CC(CNCC(C)C)C2CCCC2)c(Cl)c1.
What is the InChIKey of N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine?
The InChIKey is OYKSEVLMJWMLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN/c1-14(2)12-21-13-18(16-6-4-5-7-16)11-17-9-8-15(3)10-19(17)20/h8-10,14,16,18,21H,4-7,11-13H2,1-3H3.
What are the key properties of N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine?
N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine has a molecular weight of 307.91 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106869656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).