1-phenylethanamine

C8H11N — CID 7408

IUPAC1-phenylethanamine
SMILESCC(N)c1ccccc1
InChIInChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3
InChIKeyRQEUFEKYXDPUSK-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.71
Rot. Bonds1

About 1-phenylethanamine

1-phenylethanamine (PubChem CID 7408) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 1-phenylethanamine.

Molecular Properties

Compound Name1-phenylethanamine
PubChem CID7408
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name1-phenylethanamine
SMILESCC(N)c1ccccc1
InChIInChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3
InChIKeyRQEUFEKYXDPUSK-UHFFFAOYSA-N
XLogP1.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-phenylethanamine 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-phenylethanamine?
The IUPAC name of 1-phenylethanamine (CID 7408) is 1-phenylethanamine.
What is the SMILES notation for 1-phenylethanamine?
The canonical SMILES for 1-phenylethanamine is CC(N)c1ccccc1.
What is the InChIKey of 1-phenylethanamine?
The InChIKey is RQEUFEKYXDPUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3.
What are the key properties of 1-phenylethanamine?
1-phenylethanamine has a molecular weight of 121.18 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethanamine is sourced from PubChem (CID 7408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).