2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one

C10H11ClFNO — CID 84681361

IUPAC2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one
SMILESCc1ccc(F)c(C(=O)C(C)N)c1Cl
InChIInChI=1S/C10H11ClFNO/c1-5-3-4-7(12)8(9(5)11)10(14)6(2)13/h3-4,6H,13H2,1-2H3
InChIKeyBABKRYOXPHBLDA-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.32
Rot. Bonds2

About 2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one

2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one (PubChem CID 84681361) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one
PubChem CID84681361
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one
SMILESCc1ccc(F)c(C(=O)C(C)N)c1Cl
InChIInChI=1S/C10H11ClFNO/c1-5-3-4-7(12)8(9(5)11)10(14)6(2)13/h3-4,6H,13H2,1-2H3
InChIKeyBABKRYOXPHBLDA-UHFFFAOYSA-N
XLogP2.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2-chloro-6-methoxy-3-methylphenyl)propan-1-one
CID 84791812
2-chloro-6-fluoro-3-methylbenzoic acid
CID 2773668
1-(2-chloro-6-fluoro-3-methylphenyl)ethanone
CID 2773655
2-amino-1-(3-chloro-6-fluoro-2-hydroxyphenyl)propan-1-one
CID 84683223
2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one
CID 82613244
(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetic acid
CID 66512428
2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one
CID 84669836
2-amino-1-(3-chloro-2-hydroxy-4,6-dimethylphenyl)propan-1-one
CID 84691466
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441
methyl 2-(2-chloro-6-fluoro-3-methylphenyl)propanoate
CID 175668376
methyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride
CID 171209713
2-amino-1-(3-chloro-4-hydroxy-2,6-dimethylphenyl)propan-1-one
CID 84691459

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one (CID 84681361) is 2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one is Cc1ccc(F)c(C(=O)C(C)N)c1Cl.
What is the InChIKey of 2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one?
The InChIKey is BABKRYOXPHBLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-5-3-4-7(12)8(9(5)11)10(14)6(2)13/h3-4,6H,13H2,1-2H3.
What are the key properties of 2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one?
2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one has a molecular weight of 215.66 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one is sourced from PubChem (CID 84681361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).