(5-amino-2-fluoro-3-methylphenyl)-(4-methoxy-3-methylphenyl)methanone

C16H16FNO2 — CID 103298336

IUPAC(5-amino-2-fluoro-3-methylphenyl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(N)cc(C)c2F)cc1C
InChIInChI=1S/C16H16FNO2/c1-9-6-11(4-5-14(9)20-3)16(19)13-8-12(18)7-10(2)15(13)17/h4-8H,18H2,1-3H3
InChIKeyAFBGYGUMFWOKCN-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.26
Rot. Bonds3

About (5-amino-2-fluoro-3-methylphenyl)-(4-methoxy-3-methylphenyl)methanone

(5-amino-2-fluoro-3-methylphenyl)-(4-methoxy-3-methylphenyl)methanone (PubChem CID 103298336) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is (5-amino-2-fluoro-3-methylphenyl)-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(5-amino-2-fluoro-3-methylphenyl)-(4-methoxy-3-methylphenyl)methanone
PubChem CID103298336
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name(5-amino-2-fluoro-3-methylphenyl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(N)cc(C)c2F)cc1C
InChIInChI=1S/C16H16FNO2/c1-9-6-11(4-5-14(9)20-3)16(19)13-8-12(18)7-10(2)15(13)17/h4-8H,18H2,1-3H3
InChIKeyAFBGYGUMFWOKCN-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 (5-amino-2-fluoro-3-methylphenyl)-(4-methoxy-3-methylphenyl)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

(2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 113417701
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
(3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 107874154
(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379600
(4-hydroxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 70142361
6-(5-amino-2-fluoro-3-methylbenzoyl)-3H-1,3-benzoxazol-2-one
CID 103298323
(4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 79214841
(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209380
(5-fluoro-2-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209421
(5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
CID 103298335
(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107512834
(5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 107201379

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluoro-3-methylphenyl)-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of (5-amino-2-fluoro-3-methylphenyl)-(4-methoxy-3-methylphenyl)methanone (CID 103298336) is (5-amino-2-fluoro-3-methylphenyl)-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for (5-amino-2-fluoro-3-methylphenyl)-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for (5-amino-2-fluoro-3-methylphenyl)-(4-methoxy-3-methylphenyl)methanone is COc1ccc(C(=O)c2cc(N)cc(C)c2F)cc1C.
What is the InChIKey of (5-amino-2-fluoro-3-methylphenyl)-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is AFBGYGUMFWOKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-9-6-11(4-5-14(9)20-3)16(19)13-8-12(18)7-10(2)15(13)17/h4-8H,18H2,1-3H3.
What are the key properties of (5-amino-2-fluoro-3-methylphenyl)-(4-methoxy-3-methylphenyl)methanone?
(5-amino-2-fluoro-3-methylphenyl)-(4-methoxy-3-methylphenyl)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 (5-amino-2-fluoro-3-methylphenyl)-(4-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 103298336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).