(2S)-2-amino-1-phenylpropan-1-one;hydrochloride

C9H12ClNO — CID 11956149

IUPAC(2S)-2-amino-1-phenylpropan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)c1ccccc1.Cl
InChIInChI=1S/C9H11NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h2-7H,10H2,1H3;1H/t7-;/m0./s1
InChIKeyHPZCAKYHISJOIK-FJXQXJEOSA-N
MW185.65 g/mol
LogP1.64
Rot. Bonds2

About (2S)-2-amino-1-phenylpropan-1-one;hydrochloride

(2S)-2-amino-1-phenylpropan-1-one;hydrochloride (PubChem CID 11956149) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is (2S)-2-amino-1-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-phenylpropan-1-one;hydrochloride
PubChem CID11956149
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name(2S)-2-amino-1-phenylpropan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)c1ccccc1.Cl
InChIInChI=1S/C9H11NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h2-7H,10H2,1H3;1H/t7-;/m0./s1
InChIKeyHPZCAKYHISJOIK-FJXQXJEOSA-N
XLogP1.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Diethylpropion
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Monomethylpropion
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Metamfepramone
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1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)
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Ethanone, 2-amino-1-phenyl-, hydrochloride (1:1)
CID 2723597
4-Methylethcathinone
CID 52988259
Buphedrone
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Pentedrone
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(-)-alpha-Amino-propiophenone
CID 107786

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-phenylpropan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-phenylpropan-1-one;hydrochloride (CID 11956149) is (2S)-2-amino-1-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-phenylpropan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-phenylpropan-1-one;hydrochloride is C[C@H](N)C(=O)c1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-1-phenylpropan-1-one;hydrochloride?
The InChIKey is HPZCAKYHISJOIK-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h2-7H,10H2,1H3;1H/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-1-phenylpropan-1-one;hydrochloride?
(2S)-2-amino-1-phenylpropan-1-one;hydrochloride has a molecular weight of 185.65 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 11956149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).