2-amino-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one

C11H12F3NO2 — CID 84706087

IUPAC2-amino-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one
SMILESCOc1ccc(C(F)(F)F)cc1C(=O)C(C)N
InChIInChI=1S/C11H12F3NO2/c1-6(15)10(16)8-5-7(11(12,13)14)3-4-9(8)17-2/h3-6H,15H2,1-2H3
InChIKeyDYMQIBQUMDTAJA-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.24
Rot. Bonds3

About 2-amino-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one

2-amino-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 84706087) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-amino-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one
PubChem CID84706087
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2-amino-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one
SMILESCOc1ccc(C(F)(F)F)cc1C(=O)C(C)N
InChIInChI=1S/C11H12F3NO2/c1-6(15)10(16)8-5-7(11(12,13)14)3-4-9(8)17-2/h3-6H,15H2,1-2H3
InChIKeyDYMQIBQUMDTAJA-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-2,2-difluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 146009299
2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 167264759
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one
CID 146009309
N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide
CID 164894117
4-[2-methoxy-5-(trifluoromethyl)phenyl]-4-oxobutanoic acid
CID 82262810
3-chloro-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one
CID 82262815
2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
2-amino-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-one
CID 84694342
methyl 2-methoxy-4-(trifluoromethyl)benzoate
CID 24728010
1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 167530944
4-[2-methoxy-5-(trifluoromethyl)benzoyl]benzonitrile
CID 15718536

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 2-amino-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one (CID 84706087) is 2-amino-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 2-amino-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 2-amino-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one is COc1ccc(C(F)(F)F)cc1C(=O)C(C)N.
What is the InChIKey of 2-amino-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is DYMQIBQUMDTAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-6(15)10(16)8-5-7(11(12,13)14)3-4-9(8)17-2/h3-6H,15H2,1-2H3.
What are the key properties of 2-amino-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one?
2-amino-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 247.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 84706087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).