2-phenylethanamine

C8H11N — CID 1001

IUPAC2-phenylethanamine
SMILESNCCc1ccccc1
InChIInChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKeyBHHGXPLMPWCGHP-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.19
Rot. Bonds2

About 2-phenylethanamine

2-phenylethanamine (PubChem CID 1001) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 2-phenylethanamine.

Molecular Properties

Compound Name2-phenylethanamine
PubChem CID1001
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name2-phenylethanamine
SMILESNCCc1ccccc1
InChIInChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKeyBHHGXPLMPWCGHP-UHFFFAOYSA-N
XLogP1.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-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 2-phenylethanamine?
The IUPAC name of 2-phenylethanamine (CID 1001) is 2-phenylethanamine.
What is the SMILES notation for 2-phenylethanamine?
The canonical SMILES for 2-phenylethanamine is NCCc1ccccc1.
What is the InChIKey of 2-phenylethanamine?
The InChIKey is BHHGXPLMPWCGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2.
What are the key properties of 2-phenylethanamine?
2-phenylethanamine has a molecular weight of 121.18 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethanamine is sourced from PubChem (CID 1001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).