2-phenylethanamine;hydrobromide

C8H12BrN — CID 70441016

IUPAC2-phenylethanamine;hydrobromide
SMILESBr.NCCc1ccccc1
InChIInChI=1S/C8H11N.BrH/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H
InChIKeyIRAGENYJMTVCCV-UHFFFAOYSA-N
MW202.10 g/mol
LogP1.77
Rot. Bonds2

About 2-phenylethanamine;hydrobromide

2-phenylethanamine;hydrobromide (PubChem CID 70441016) has the molecular formula C8H12BrN and a molecular weight of 202.10 g/mol. Its IUPAC name is 2-phenylethanamine;hydrobromide.

Molecular Properties

Compound Name2-phenylethanamine;hydrobromide
PubChem CID70441016
Molecular FormulaC8H12BrN
Molecular Weight202.10 g/mol
Exact Mass201.02
IUPAC Name2-phenylethanamine;hydrobromide
SMILESBr.NCCc1ccccc1
InChIInChI=1S/C8H11N.BrH/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H
InChIKeyIRAGENYJMTVCCV-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.10
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-phenylethanamine;hydrobromide 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;hydrobromide?
The IUPAC name of 2-phenylethanamine;hydrobromide (CID 70441016) is 2-phenylethanamine;hydrobromide.
What is the SMILES notation for 2-phenylethanamine;hydrobromide?
The canonical SMILES for 2-phenylethanamine;hydrobromide is Br.NCCc1ccccc1.
What is the InChIKey of 2-phenylethanamine;hydrobromide?
The InChIKey is IRAGENYJMTVCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.BrH/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H.
What are the key properties of 2-phenylethanamine;hydrobromide?
2-phenylethanamine;hydrobromide has a molecular weight of 202.10 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethanamine;hydrobromide is sourced from PubChem (CID 70441016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).