2-amino-1-(3-chloro-4-hydroxy-2,6-dimethylphenyl)propan-1-one

C11H14ClNO2 — CID 84691459

IUPAC2-amino-1-(3-chloro-4-hydroxy-2,6-dimethylphenyl)propan-1-one
SMILESCc1cc(O)c(Cl)c(C)c1C(=O)C(C)N
InChIInChI=1S/C11H14ClNO2/c1-5-4-8(14)10(12)6(2)9(5)11(15)7(3)13/h4,7,14H,13H2,1-3H3
InChIKeyJZAOIXFGHAGZNV-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.19
Rot. Bonds2

About 2-amino-1-(3-chloro-4-hydroxy-2,6-dimethylphenyl)propan-1-one

2-amino-1-(3-chloro-4-hydroxy-2,6-dimethylphenyl)propan-1-one (PubChem CID 84691459) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-4-hydroxy-2,6-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-chloro-4-hydroxy-2,6-dimethylphenyl)propan-1-one
PubChem CID84691459
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-amino-1-(3-chloro-4-hydroxy-2,6-dimethylphenyl)propan-1-one
SMILESCc1cc(O)c(Cl)c(C)c1C(=O)C(C)N
InChIInChI=1S/C11H14ClNO2/c1-5-4-8(14)10(12)6(2)9(5)11(15)7(3)13/h4,7,14H,13H2,1-3H3
InChIKeyJZAOIXFGHAGZNV-UHFFFAOYSA-N
XLogP2.19
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-chloro-2-hydroxy-4,6-dimethylphenyl)propan-1-one
CID 84691466
1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methylpropan-1-one
CID 62379205
(2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one
CID 868051
(2S)-2-amino-1-(2,4,6-trihydroxyphenyl)propan-1-one
CID 118469870
4-(2-aminopropyl)-2-chloro-3,5-dimethylphenol
CID 117304826
2-amino-1-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one
CID 84704073
2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one
CID 116915335
2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one
CID 84681361
2-amino-1-(2-chloro-6-methoxy-3-methylphenyl)propan-1-one
CID 84791812
2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one
CID 84679949
2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one
CID 82613244
ethyl 2-(3-chloro-4-hydroxy-2,6-dimethylphenyl)-2-hydroxyacetate
CID 117400438

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-4-hydroxy-2,6-dimethylphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(3-chloro-4-hydroxy-2,6-dimethylphenyl)propan-1-one (CID 84691459) is 2-amino-1-(3-chloro-4-hydroxy-2,6-dimethylphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(3-chloro-4-hydroxy-2,6-dimethylphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(3-chloro-4-hydroxy-2,6-dimethylphenyl)propan-1-one is Cc1cc(O)c(Cl)c(C)c1C(=O)C(C)N.
What is the InChIKey of 2-amino-1-(3-chloro-4-hydroxy-2,6-dimethylphenyl)propan-1-one?
The InChIKey is JZAOIXFGHAGZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-5-4-8(14)10(12)6(2)9(5)11(15)7(3)13/h4,7,14H,13H2,1-3H3.
What are the key properties of 2-amino-1-(3-chloro-4-hydroxy-2,6-dimethylphenyl)propan-1-one?
2-amino-1-(3-chloro-4-hydroxy-2,6-dimethylphenyl)propan-1-one has a molecular weight of 227.69 g/mol, XLogP of 2.19, 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-2,6-dimethylphenyl)propan-1-one is sourced from PubChem (CID 84691459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).