4-(2-aminoethyl)benzamide;hydrochloride

C9H13ClN2O — CID 23071598

IUPAC4-(2-aminoethyl)benzamide;hydrochloride
SMILESCl.NCCc1ccc(C(N)=O)cc1
InChIInChI=1S/C9H12N2O.ClH/c10-6-5-7-1-3-8(4-2-7)9(11)12;/h1-4H,5-6,10H2,(H2,11,12);1H
InChIKeyGHNGVSDYNFEZPM-UHFFFAOYSA-N
MW200.67 g/mol
LogP0.71
Rot. Bonds3

About 4-(2-aminoethyl)benzamide;hydrochloride

4-(2-aminoethyl)benzamide;hydrochloride (PubChem CID 23071598) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 4-(2-aminoethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(2-aminoethyl)benzamide;hydrochloride
PubChem CID23071598
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name4-(2-aminoethyl)benzamide;hydrochloride
SMILESCl.NCCc1ccc(C(N)=O)cc1
InChIInChI=1S/C9H12N2O.ClH/c10-6-5-7-1-3-8(4-2-7)9(11)12;/h1-4H,5-6,10H2,(H2,11,12);1H
InChIKeyGHNGVSDYNFEZPM-UHFFFAOYSA-N
XLogP0.71
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-aminoethyl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735
[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
CID 68644964
4-(2-phenylethyl)benzamide
CID 23130460
4-(2-Aminoethyl)-benzoic acid sodium
CID 70590830
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
4-(2-aminoethyl)benzoic acid;hydron;chloride
CID 56844303
2-[4-(2-aminoethyl)phenyl]acetamide
CID 70268423
[4-(2-aminoethyl)phenyl]-phenylmethanone
CID 14368635
4-octylbenzamide;hydrochloride
CID 131740255
4-(2-azidoethyl)benzamide
CID 22390689
4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride
CID 70294234
4-(2-aminoethyl)-N-cyanobenzamide
CID 79194320

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)benzamide;hydrochloride?
The IUPAC name of 4-(2-aminoethyl)benzamide;hydrochloride (CID 23071598) is 4-(2-aminoethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(2-aminoethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(2-aminoethyl)benzamide;hydrochloride is Cl.NCCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(2-aminoethyl)benzamide;hydrochloride?
The InChIKey is GHNGVSDYNFEZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.ClH/c10-6-5-7-1-3-8(4-2-7)9(11)12;/h1-4H,5-6,10H2,(H2,11,12);1H.
What are the key properties of 4-(2-aminoethyl)benzamide;hydrochloride?
4-(2-aminoethyl)benzamide;hydrochloride has a molecular weight of 200.67 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)benzamide;hydrochloride is sourced from PubChem (CID 23071598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).