(4-butylphenyl)methanamine

C11H17N — CID 4029871

IUPAC(4-butylphenyl)methanamine
SMILESCCCCc1ccc(CN)cc1
InChIInChI=1S/C11H17N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4,9,12H2,1H3
InChIKeyIBVGSPOHLFKLHM-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.49
Rot. Bonds4

About (4-butylphenyl)methanamine

(4-butylphenyl)methanamine (PubChem CID 4029871) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (4-butylphenyl)methanamine.

Molecular Properties

Compound Name(4-butylphenyl)methanamine
PubChem CID4029871
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(4-butylphenyl)methanamine
SMILESCCCCc1ccc(CN)cc1
InChIInChI=1S/C11H17N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4,9,12H2,1H3
InChIKeyIBVGSPOHLFKLHM-UHFFFAOYSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-butylphenyl)methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)methanamine?
The IUPAC name of (4-butylphenyl)methanamine (CID 4029871) is (4-butylphenyl)methanamine.
What is the SMILES notation for (4-butylphenyl)methanamine?
The canonical SMILES for (4-butylphenyl)methanamine is CCCCc1ccc(CN)cc1.
What is the InChIKey of (4-butylphenyl)methanamine?
The InChIKey is IBVGSPOHLFKLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4,9,12H2,1H3.
What are the key properties of (4-butylphenyl)methanamine?
(4-butylphenyl)methanamine has a molecular weight of 163.26 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)methanamine is sourced from PubChem (CID 4029871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).