1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone

C15H14FNO2 — CID 113453735

IUPAC1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2ccccc2N)c1F
InChIInChI=1S/C15H14FNO2/c1-19-14-8-4-5-10(15(14)16)9-13(18)11-6-2-3-7-12(11)17/h2-8H,9,17H2,1H3
InChIKeyZBGTWBJBGFGKNV-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.84
Rot. Bonds4

About 1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone

1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone (PubChem CID 113453735) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
PubChem CID113453735
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2ccccc2N)c1F
InChIInChI=1S/C15H14FNO2/c1-19-14-8-4-5-10(15(14)16)9-13(18)11-6-2-3-7-12(11)17/h2-8H,9,17H2,1H3
InChIKeyZBGTWBJBGFGKNV-UHFFFAOYSA-N
XLogP2.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(2-methylphenyl)ethanone
CID 113453726
1-(2-bromo-5-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800218
(2-fluoro-3-methoxyphenyl)methyl 3-amino-2-methylbenzoate
CID 104794373
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 104793432
1-(5-bromo-2-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800078
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 105065080
1-(2,5-dimethylfuran-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800291
2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone
CID 104793354
1-(2-aminophenyl)-2-(2-methylphenyl)ethanone
CID 64832569
1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone
CID 81453841
1-(2-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077704
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone (CID 113453735) is 1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone is COc1cccc(CC(=O)c2ccccc2N)c1F.
What is the InChIKey of 1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The InChIKey is ZBGTWBJBGFGKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-19-14-8-4-5-10(15(14)16)9-13(18)11-6-2-3-7-12(11)17/h2-8H,9,17H2,1H3.
What are the key properties of 1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone has a molecular weight of 259.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone is sourced from PubChem (CID 113453735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).