(4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone

C16H16FNO2 — CID 103434759

IUPAC(4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
SMILESCOc1c(C(=O)c2ccc(N)c(F)c2)ccc(C)c1C
InChIInChI=1S/C16H16FNO2/c1-9-4-6-12(16(20-3)10(9)2)15(19)11-5-7-14(18)13(17)8-11/h4-8H,18H2,1-3H3
InChIKeyFQRXSMKFMUNBQZ-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.26
Rot. Bonds3

About (4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone

(4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone (PubChem CID 103434759) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is (4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
PubChem CID103434759
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name(4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
SMILESCOc1c(C(=O)c2ccc(N)c(F)c2)ccc(C)c1C
InChIInChI=1S/C16H16FNO2/c1-9-4-6-12(16(20-3)10(9)2)15(19)11-5-7-14(18)13(17)8-11/h4-8H,18H2,1-3H3
InChIKeyFQRXSMKFMUNBQZ-UHFFFAOYSA-N
XLogP3.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-dimethylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103435101
[3-(dimethylamino)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434965
(2-fluoro-6-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103432999
2,3-dihydro-1H-indol-6-yl-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434951
(4-amino-3-fluorophenyl)-(2-methoxypyrimidin-5-yl)methanone
CID 112747642
(4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone
CID 159246346
(3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83068741
(3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone
CID 107129703
(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 104785073
(3-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103432923
(2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 113417701
2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone
CID 103433037

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone?
The IUPAC name of (4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone (CID 103434759) is (4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone.
What is the SMILES notation for (4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone?
The canonical SMILES for (4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone is COc1c(C(=O)c2ccc(N)c(F)c2)ccc(C)c1C.
What is the InChIKey of (4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone?
The InChIKey is FQRXSMKFMUNBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-9-4-6-12(16(20-3)10(9)2)15(19)11-5-7-14(18)13(17)8-11/h4-8H,18H2,1-3H3.
What are the key properties of (4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone?
(4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone has a molecular weight of 273.31 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone is sourced from PubChem (CID 103434759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).