N-[(4-chlorophenyl)methyl]cyclopentanamine

C12H16ClN — CID 834083

IUPACN-[(4-chlorophenyl)methyl]cyclopentanamine
SMILESClc1ccc(CNC2CCCC2)cc1
InChIInChI=1S/C12H16ClN/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2
InChIKeyXIXHUNCZQIRQOG-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.37
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]cyclopentanamine

N-[(4-chlorophenyl)methyl]cyclopentanamine (PubChem CID 834083) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]cyclopentanamine
PubChem CID834083
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC NameN-[(4-chlorophenyl)methyl]cyclopentanamine
SMILESClc1ccc(CNC2CCCC2)cc1
InChIInChI=1S/C12H16ClN/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2
InChIKeyXIXHUNCZQIRQOG-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]cyclopentanamine (CID 834083) is N-[(4-chlorophenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]cyclopentanamine is Clc1ccc(CNC2CCCC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]cyclopentanamine?
The InChIKey is XIXHUNCZQIRQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2.
What are the key properties of N-[(4-chlorophenyl)methyl]cyclopentanamine?
N-[(4-chlorophenyl)methyl]cyclopentanamine has a molecular weight of 209.72 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]cyclopentanamine is sourced from PubChem (CID 834083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).