1-phenylbutan-1-amine

C10H15N — CID 3603785

IUPAC1-phenylbutan-1-amine
SMILESCCCC(N)c1ccccc1
InChIInChI=1S/C10H15N/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6,11H2,1H3
InChIKeyXHOXKVFLASIOJD-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.49
Rot. Bonds3

About 1-phenylbutan-1-amine

1-phenylbutan-1-amine (PubChem CID 3603785) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1-phenylbutan-1-amine.

Molecular Properties

Compound Name1-phenylbutan-1-amine
PubChem CID3603785
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1-phenylbutan-1-amine
SMILESCCCC(N)c1ccccc1
InChIInChI=1S/C10H15N/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6,11H2,1H3
InChIKeyXHOXKVFLASIOJD-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-phenylbutan-1-amine 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 1-phenylbutan-1-amine?
The IUPAC name of 1-phenylbutan-1-amine (CID 3603785) is 1-phenylbutan-1-amine.
What is the SMILES notation for 1-phenylbutan-1-amine?
The canonical SMILES for 1-phenylbutan-1-amine is CCCC(N)c1ccccc1.
What is the InChIKey of 1-phenylbutan-1-amine?
The InChIKey is XHOXKVFLASIOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6,11H2,1H3.
What are the key properties of 1-phenylbutan-1-amine?
1-phenylbutan-1-amine has a molecular weight of 149.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylbutan-1-amine is sourced from PubChem (CID 3603785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).