4-butylaniline

C10H15N — CID 7694

IUPAC4-butylaniline
SMILESCCCCc1ccc(N)cc1
InChIInChI=1S/C10H15N/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4,11H2,1H3
InChIKeyOGIQUQKNJJTLSZ-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.61
Rot. Bonds3

About 4-butylaniline

4-butylaniline (PubChem CID 7694) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 4-butylaniline.

Molecular Properties

Compound Name4-butylaniline
PubChem CID7694
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name4-butylaniline
SMILESCCCCc1ccc(N)cc1
InChIInChI=1S/C10H15N/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4,11H2,1H3
InChIKeyOGIQUQKNJJTLSZ-UHFFFAOYSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-butylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-Toluidine
CID 7242
4,4-Diaminodiphenylmethane
CID 7577
2,4-Diaminotoluene
CID 7261
Dimethyl-p-toluidine
CID 7471
o-Tolidine
CID 8413
p-Toluidine
CID 7813
2-Naphthylamine
CID 7057
Benzidine
CID 7111
3,4-Diaminotoluene
CID 10332
2,4-Dimethylaniline
CID 7250
4-Aminobiphenyl
CID 7102
2,6-Diaminotoluene
CID 13205

Frequently Asked Questions

What is the IUPAC name of 4-butylaniline?
The IUPAC name of 4-butylaniline (CID 7694) is 4-butylaniline.
What is the SMILES notation for 4-butylaniline?
The canonical SMILES for 4-butylaniline is CCCCc1ccc(N)cc1.
What is the InChIKey of 4-butylaniline?
The InChIKey is OGIQUQKNJJTLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4,11H2,1H3.
What are the key properties of 4-butylaniline?
4-butylaniline has a molecular weight of 149.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylaniline is sourced from PubChem (CID 7694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).