4-(2-cyclopentylphenyl)aniline

C17H19N — CID 174376449

IUPAC4-(2-cyclopentylphenyl)aniline
SMILESNc1ccc(-c2ccccc2C2CCCC2)cc1
InChIInChI=1S/C17H19N/c18-15-11-9-14(10-12-15)17-8-4-3-7-16(17)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6,18H2
InChIKeyOJTSHWAUBBICQL-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.59
Rot. Bonds2

About 4-(2-cyclopentylphenyl)aniline

4-(2-cyclopentylphenyl)aniline (PubChem CID 174376449) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(2-cyclopentylphenyl)aniline.

Molecular Properties

Compound Name4-(2-cyclopentylphenyl)aniline
PubChem CID174376449
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name4-(2-cyclopentylphenyl)aniline
SMILESNc1ccc(-c2ccccc2C2CCCC2)cc1
InChIInChI=1S/C17H19N/c18-15-11-9-14(10-12-15)17-8-4-3-7-16(17)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6,18H2
InChIKeyOJTSHWAUBBICQL-UHFFFAOYSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylphenyl)aniline?
The IUPAC name of 4-(2-cyclopentylphenyl)aniline (CID 174376449) is 4-(2-cyclopentylphenyl)aniline.
What is the SMILES notation for 4-(2-cyclopentylphenyl)aniline?
The canonical SMILES for 4-(2-cyclopentylphenyl)aniline is Nc1ccc(-c2ccccc2C2CCCC2)cc1.
What is the InChIKey of 4-(2-cyclopentylphenyl)aniline?
The InChIKey is OJTSHWAUBBICQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c18-15-11-9-14(10-12-15)17-8-4-3-7-16(17)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6,18H2.
What are the key properties of 4-(2-cyclopentylphenyl)aniline?
4-(2-cyclopentylphenyl)aniline has a molecular weight of 237.35 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylphenyl)aniline is sourced from PubChem (CID 174376449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).