[1-(4-chlorophenyl)cyclopentyl]methanamine

C12H16ClN — CID 580778

IUPAC[1-(4-chlorophenyl)cyclopentyl]methanamine
SMILESNCC1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C12H16ClN/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h3-6H,1-2,7-9,14H2
InChIKeyLJXNEBZTTYBJJO-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.11
Rot. Bonds2

About [1-(4-chlorophenyl)cyclopentyl]methanamine

[1-(4-chlorophenyl)cyclopentyl]methanamine (PubChem CID 580778) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopentyl]methanamine
PubChem CID580778
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name[1-(4-chlorophenyl)cyclopentyl]methanamine
SMILESNCC1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C12H16ClN/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h3-6H,1-2,7-9,14H2
InChIKeyLJXNEBZTTYBJJO-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(4-chlorophenyl)cyclopentyl]methanamine (CID 580778) is [1-(4-chlorophenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(4-chlorophenyl)cyclopentyl]methanamine is NCC1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopentyl]methanamine?
The InChIKey is LJXNEBZTTYBJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h3-6H,1-2,7-9,14H2.
What are the key properties of [1-(4-chlorophenyl)cyclopentyl]methanamine?
[1-(4-chlorophenyl)cyclopentyl]methanamine has a molecular weight of 209.72 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopentyl]methanamine is sourced from PubChem (CID 580778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).