(2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone

C15H14FNO2 — CID 113417701

IUPAC(2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(F)cc2N)cc1C
InChIInChI=1S/C15H14FNO2/c1-9-7-10(3-6-14(9)19-2)15(18)12-5-4-11(16)8-13(12)17/h3-8H,17H2,1-2H3
InChIKeyTZTWQMMZMAHVEF-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.96
Rot. Bonds3

About (2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone

(2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone (PubChem CID 113417701) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is (2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
PubChem CID113417701
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name(2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(F)cc2N)cc1C
InChIInChI=1S/C15H14FNO2/c1-9-7-10(3-6-14(9)19-2)15(18)12-5-4-11(16)8-13(12)17/h3-8H,17H2,1-2H3
InChIKeyTZTWQMMZMAHVEF-UHFFFAOYSA-N
XLogP2.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-amino-2-fluoro-3-methylphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 103298336
(5-fluoro-2-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209421
(3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 107874154
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone
CID 63048757
(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209380
(2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone
CID 113417691
(3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone
CID 43339880
(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379600
(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43805125
(4-hydroxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 70142361
ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of (2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone (CID 113417701) is (2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for (2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for (2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone is COc1ccc(C(=O)c2ccc(F)cc2N)cc1C.
What is the InChIKey of (2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is TZTWQMMZMAHVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-9-7-10(3-6-14(9)19-2)15(18)12-5-4-11(16)8-13(12)17/h3-8H,17H2,1-2H3.
What are the key properties of (2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone?
(2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone has a molecular weight of 259.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 113417701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).