3-amino-4-phenylbutan-2-one;hydrochloride

C10H14ClNO — CID 13342250

IUPAC3-amino-4-phenylbutan-2-one;hydrochloride
SMILESCC(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C10H13NO.ClH/c1-8(12)10(11)7-9-5-3-2-4-6-9;/h2-6,10H,7,11H2,1H3;1H
InChIKeyNMCSZKJGITYITB-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.57
Rot. Bonds3

About 3-amino-4-phenylbutan-2-one;hydrochloride

3-amino-4-phenylbutan-2-one;hydrochloride (PubChem CID 13342250) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 3-amino-4-phenylbutan-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-4-phenylbutan-2-one;hydrochloride
PubChem CID13342250
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name3-amino-4-phenylbutan-2-one;hydrochloride
SMILESCC(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C10H13NO.ClH/c1-8(12)10(11)7-9-5-3-2-4-6-9;/h2-6,10H,7,11H2,1H3;1H
InChIKeyNMCSZKJGITYITB-UHFFFAOYSA-N
XLogP1.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-4-phenylbutan-2-one;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

Cathinone
CID 62258
Monomethylpropion
CID 1576
Ethanone, 2-amino-1-phenyl-, hydrochloride (1:1)
CID 2723597
Endorphenyl
CID 6925665
Phenylalanine amide
CID 445694
Buphedrone
CID 53249194
Cathinone hydrochloride
CID 11956149
Pentedrone
CID 57501499
(-)-alpha-Amino-propiophenone
CID 107786
Phenacylamine
CID 11952
Ethcathinone
CID 458519
Acetamide, N-[2-oxo-1-(phenylmethyl)propyl]-
CID 227936

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-phenylbutan-2-one;hydrochloride?
The IUPAC name of 3-amino-4-phenylbutan-2-one;hydrochloride (CID 13342250) is 3-amino-4-phenylbutan-2-one;hydrochloride.
What is the SMILES notation for 3-amino-4-phenylbutan-2-one;hydrochloride?
The canonical SMILES for 3-amino-4-phenylbutan-2-one;hydrochloride is CC(=O)C(N)Cc1ccccc1.Cl.
What is the InChIKey of 3-amino-4-phenylbutan-2-one;hydrochloride?
The InChIKey is NMCSZKJGITYITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c1-8(12)10(11)7-9-5-3-2-4-6-9;/h2-6,10H,7,11H2,1H3;1H.
What are the key properties of 3-amino-4-phenylbutan-2-one;hydrochloride?
3-amino-4-phenylbutan-2-one;hydrochloride has a molecular weight of 199.68 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-phenylbutan-2-one;hydrochloride is sourced from PubChem (CID 13342250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).