3-phenylbutan-1-amine

C10H15N — CID 3015962

IUPAC3-phenylbutan-1-amine
SMILESCC(CCN)c1ccccc1
InChIInChI=1S/C10H15N/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
InChIKeyHJMCIHLESAJJQL-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.14
Rot. Bonds3

About 3-phenylbutan-1-amine

3-phenylbutan-1-amine (PubChem CID 3015962) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-phenylbutan-1-amine.

Molecular Properties

Compound Name3-phenylbutan-1-amine
PubChem CID3015962
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-phenylbutan-1-amine
SMILESCC(CCN)c1ccccc1
InChIInChI=1S/C10H15N/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
InChIKeyHJMCIHLESAJJQL-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenylbutan-1-amine?
The IUPAC name of 3-phenylbutan-1-amine (CID 3015962) is 3-phenylbutan-1-amine.
What is the SMILES notation for 3-phenylbutan-1-amine?
The canonical SMILES for 3-phenylbutan-1-amine is CC(CCN)c1ccccc1.
What is the InChIKey of 3-phenylbutan-1-amine?
The InChIKey is HJMCIHLESAJJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3.
What are the key properties of 3-phenylbutan-1-amine?
3-phenylbutan-1-amine has a molecular weight of 149.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbutan-1-amine is sourced from PubChem (CID 3015962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).