N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine

C16H24ClN — CID 80705084

IUPACN-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
SMILESCC(Cc1cccc(Cl)c1)NC1CCC(C)(C)C1
InChIInChI=1S/C16H24ClN/c1-12(9-13-5-4-6-14(17)10-13)18-15-7-8-16(2,3)11-15/h4-6,10,12,15,18H,7-9,11H2,1-3H3
InChIKeyQUSJGVPJEOQEDT-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.44
Rot. Bonds4

About N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine

N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 80705084) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
PubChem CID80705084
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
SMILESCC(Cc1cccc(Cl)c1)NC1CCC(C)(C)C1
InChIInChI=1S/C16H24ClN/c1-12(9-13-5-4-6-14(17)10-13)18-15-7-8-16(2,3)11-15/h4-6,10,12,15,18H,7-9,11H2,1-3H3
InChIKeyQUSJGVPJEOQEDT-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-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-(3-chlorophenyl)propan-2-yl]cyclopentanamine
CID 43694776
4-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79724820
N-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine
CID 79860721
N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 80693498
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 115897346
N-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine
CID 43694783
N-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine
CID 54981472
N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine
CID 65081836
1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine
CID 79459034
3,3-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine
CID 80706411
N-[1-(3-fluorophenyl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 114830677
2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine
CID 43694786

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine (CID 80705084) is N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine is CC(Cc1cccc(Cl)c1)NC1CCC(C)(C)C1.
What is the InChIKey of N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is QUSJGVPJEOQEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-12(9-13-5-4-6-14(17)10-13)18-15-7-8-16(2,3)11-15/h4-6,10,12,15,18H,7-9,11H2,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine?
N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 80705084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).