N-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine

C19H30ClN — CID 107191840

IUPACN-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cc1Cl)C1CCCC1(C)C
InChIInChI=1S/C19H30ClN/c1-5-11-21-18(16-7-6-10-19(16,3)4)13-15-9-8-14(2)12-17(15)20/h8-9,12,16,18,21H,5-7,10-11,13H2,1-4H3
InChIKeyGINDFLVXUCLNGR-UHFFFAOYSA-N
MW307.91 g/mol
LogP5.39
Rot. Bonds6

About N-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine

N-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine (PubChem CID 107191840) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine
PubChem CID107191840
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC NameN-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cc1Cl)C1CCCC1(C)C
InChIInChI=1S/C19H30ClN/c1-5-11-21-18(16-7-6-10-19(16,3)4)13-15-9-8-14(2)12-17(15)20/h8-9,12,16,18,21H,5-7,10-11,13H2,1-4H3
InChIKeyGINDFLVXUCLNGR-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.91
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]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

N-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine
CID 107189010
2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188245
N-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 107179564
N-[2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-2-yl)ethyl]propan-1-amine
CID 106867367
2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107190878
N-[1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 107188294
N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 107179519
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188128
N-[1-(2,2-dimethylcyclopentyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 107190647
3-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propylpentan-2-amine
CID 106865003
1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 107179603
2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine
CID 106866254

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine (CID 107191840) is N-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C)cc1Cl)C1CCCC1(C)C.
What is the InChIKey of N-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine?
The InChIKey is GINDFLVXUCLNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN/c1-5-11-21-18(16-7-6-10-19(16,3)4)13-15-9-8-14(2)12-17(15)20/h8-9,12,16,18,21H,5-7,10-11,13H2,1-4H3.
What are the key properties of N-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine?
N-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine has a molecular weight of 307.91 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine is sourced from PubChem (CID 107191840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).