2-pentyl-N-phenylaniline

C17H21N — CID 20516677

IUPAC2-pentyl-N-phenylaniline
SMILESCCCCCc1ccccc1Nc1ccccc1
InChIInChI=1S/C17H21N/c1-2-3-5-10-15-11-8-9-14-17(15)18-16-12-6-4-7-13-16/h4,6-9,11-14,18H,2-3,5,10H2,1H3
InChIKeyJRVPIJWRWAIXTF-UHFFFAOYSA-N
MW239.36 g/mol
LogP5.16
Rot. Bonds6

About 2-pentyl-N-phenylaniline

2-pentyl-N-phenylaniline (PubChem CID 20516677) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-pentyl-N-phenylaniline.

Molecular Properties

Compound Name2-pentyl-N-phenylaniline
PubChem CID20516677
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name2-pentyl-N-phenylaniline
SMILESCCCCCc1ccccc1Nc1ccccc1
InChIInChI=1S/C17H21N/c1-2-3-5-10-15-11-8-9-14-17(15)18-16-12-6-4-7-13-16/h4,6-9,11-14,18H,2-3,5,10H2,1H3
InChIKeyJRVPIJWRWAIXTF-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.36
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihexadecyl-N-phenylaniline
CID 139699998
N-(2-heptylphenyl)naphthalen-2-amine
CID 54314273
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CID 101298415
N-(2-dodecylphenyl)-1-heptylnaphthalen-2-amine
CID 70635504
N-[2,3-di(nonyl)phenyl]-2,3-di(nonyl)aniline
CID 89444406
(2-heptadecylphenyl)carbamic acid
CID 71374202
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
2-[2-(4-butylanilino)phenyl]acetic acid
CID 18546340

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-N-phenylaniline?
The IUPAC name of 2-pentyl-N-phenylaniline (CID 20516677) is 2-pentyl-N-phenylaniline.
What is the SMILES notation for 2-pentyl-N-phenylaniline?
The canonical SMILES for 2-pentyl-N-phenylaniline is CCCCCc1ccccc1Nc1ccccc1.
What is the InChIKey of 2-pentyl-N-phenylaniline?
The InChIKey is JRVPIJWRWAIXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-2-3-5-10-15-11-8-9-14-17(15)18-16-12-6-4-7-13-16/h4,6-9,11-14,18H,2-3,5,10H2,1H3.
What are the key properties of 2-pentyl-N-phenylaniline?
2-pentyl-N-phenylaniline has a molecular weight of 239.36 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-N-phenylaniline is sourced from PubChem (CID 20516677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).