N-nonyl-3-phenylaniline

C21H29N — CID 24806279

IUPACN-nonyl-3-phenylaniline
SMILESCCCCCCCCCNc1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H29N/c1-2-3-4-5-6-7-11-17-22-21-16-12-15-20(18-21)19-13-9-8-10-14-19/h8-10,12-16,18,22H,2-7,11,17H2,1H3
InChIKeyJUSKNUJWBCEVLC-UHFFFAOYSA-N
MW295.47 g/mol
LogP6.52
Rot. Bonds10

About N-nonyl-3-phenylaniline

N-nonyl-3-phenylaniline (PubChem CID 24806279) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is N-nonyl-3-phenylaniline.

Molecular Properties

Compound NameN-nonyl-3-phenylaniline
PubChem CID24806279
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC NameN-nonyl-3-phenylaniline
SMILESCCCCCCCCCNc1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H29N/c1-2-3-4-5-6-7-11-17-22-21-16-12-15-20(18-21)19-13-9-8-10-14-19/h8-10,12-16,18,22H,2-7,11,17H2,1H3
InChIKeyJUSKNUJWBCEVLC-UHFFFAOYSA-N
XLogP6.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 56.52
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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Frequently Asked Questions

What is the IUPAC name of N-nonyl-3-phenylaniline?
The IUPAC name of N-nonyl-3-phenylaniline (CID 24806279) is N-nonyl-3-phenylaniline.
What is the SMILES notation for N-nonyl-3-phenylaniline?
The canonical SMILES for N-nonyl-3-phenylaniline is CCCCCCCCCNc1cccc(-c2ccccc2)c1.
What is the InChIKey of N-nonyl-3-phenylaniline?
The InChIKey is JUSKNUJWBCEVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N/c1-2-3-4-5-6-7-11-17-22-21-16-12-15-20(18-21)19-13-9-8-10-14-19/h8-10,12-16,18,22H,2-7,11,17H2,1H3.
What are the key properties of N-nonyl-3-phenylaniline?
N-nonyl-3-phenylaniline has a molecular weight of 295.47 g/mol, XLogP of 6.52, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonyl-3-phenylaniline is sourced from PubChem (CID 24806279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).