2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one

C10H12ClNO2 — CID 84679949

IUPAC2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one
SMILESCc1cc(C(=O)C(C)N)cc(Cl)c1O
InChIInChI=1S/C10H12ClNO2/c1-5-3-7(10(14)6(2)12)4-8(11)9(5)13/h3-4,6,13H,12H2,1-2H3
InChIKeyIRLKXTKICKEPJM-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.88
Rot. Bonds2

About 2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one

2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one (PubChem CID 84679949) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one
PubChem CID84679949
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one
SMILESCc1cc(C(=O)C(C)N)cc(Cl)c1O
InChIInChI=1S/C10H12ClNO2/c1-5-3-7(10(14)6(2)12)4-8(11)9(5)13/h3-4,6,13H,12H2,1-2H3
InChIKeyIRLKXTKICKEPJM-UHFFFAOYSA-N
XLogP1.88
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone
CID 679502
4-(1-aminoethyl)-2-chloro-6-methylphenol
CID 84660355
2-amino-1-(3-chloro-2-hydroxy-4,6-dimethylphenyl)propan-1-one
CID 84691466
2-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid
CID 84783600
(2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one
CID 141396004
2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one
CID 82613244
2-amino-1-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one
CID 84704073
2-amino-1-(3-chloro-4-hydroxy-2,6-dimethylphenyl)propan-1-one
CID 84691459
(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
CID 58665961
methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate
CID 117333182
methyl (2S)-2-amino-3-(3-chloro-4-hydroxy-5-methylphenyl)propanoate;hydrochloride
CID 69314172
2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride
CID 22601032

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one (CID 84679949) is 2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one is Cc1cc(C(=O)C(C)N)cc(Cl)c1O.
What is the InChIKey of 2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one?
The InChIKey is IRLKXTKICKEPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-5-3-7(10(14)6(2)12)4-8(11)9(5)13/h3-4,6,13H,12H2,1-2H3.
What are the key properties of 2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one?
2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one has a molecular weight of 213.66 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one is sourced from PubChem (CID 84679949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).