4-chloro-N-(2-phenylcyclopentyl)aniline

C17H18ClN — CID 164670805

IUPAC4-chloro-N-(2-phenylcyclopentyl)aniline
SMILESClc1ccc(NC2CCCC2c2ccccc2)cc1
InChIInChI=1S/C17H18ClN/c18-14-9-11-15(12-10-14)19-17-8-4-7-16(17)13-5-2-1-3-6-13/h1-3,5-6,9-12,16-17,19H,4,7-8H2
InChIKeyRNORUNSHKVGPSA-UHFFFAOYSA-N
MW271.79 g/mol
LogP5.09
Rot. Bonds3

About 4-chloro-N-(2-phenylcyclopentyl)aniline

4-chloro-N-(2-phenylcyclopentyl)aniline (PubChem CID 164670805) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is 4-chloro-N-(2-phenylcyclopentyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(2-phenylcyclopentyl)aniline
PubChem CID164670805
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name4-chloro-N-(2-phenylcyclopentyl)aniline
SMILESClc1ccc(NC2CCCC2c2ccccc2)cc1
InChIInChI=1S/C17H18ClN/c18-14-9-11-15(12-10-14)19-17-8-4-7-16(17)13-5-2-1-3-6-13/h1-3,5-6,9-12,16-17,19H,4,7-8H2
InChIKeyRNORUNSHKVGPSA-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.79
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-phenylcyclopentyl)aniline?
The IUPAC name of 4-chloro-N-(2-phenylcyclopentyl)aniline (CID 164670805) is 4-chloro-N-(2-phenylcyclopentyl)aniline.
What is the SMILES notation for 4-chloro-N-(2-phenylcyclopentyl)aniline?
The canonical SMILES for 4-chloro-N-(2-phenylcyclopentyl)aniline is Clc1ccc(NC2CCCC2c2ccccc2)cc1.
What is the InChIKey of 4-chloro-N-(2-phenylcyclopentyl)aniline?
The InChIKey is RNORUNSHKVGPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c18-14-9-11-15(12-10-14)19-17-8-4-7-16(17)13-5-2-1-3-6-13/h1-3,5-6,9-12,16-17,19H,4,7-8H2.
What are the key properties of 4-chloro-N-(2-phenylcyclopentyl)aniline?
4-chloro-N-(2-phenylcyclopentyl)aniline has a molecular weight of 271.79 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-phenylcyclopentyl)aniline is sourced from PubChem (CID 164670805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).