(2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone

C15H14FNO3 — CID 81413829

IUPAC(2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(N)cccc2OC)cc1F
InChIInChI=1S/C15H14FNO3/c1-19-12-7-6-9(8-10(12)16)15(18)14-11(17)4-3-5-13(14)20-2/h3-8H,17H2,1-2H3
InChIKeyFPEPFIOASBRCQL-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.66
Rot. Bonds4

About (2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone

(2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 81413829) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is (2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID81413829
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name(2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(N)cccc2OC)cc1F
InChIInChI=1S/C15H14FNO3/c1-19-12-7-6-9(8-10(12)16)15(18)14-11(17)4-3-5-13(14)20-2/h3-8H,17H2,1-2H3
InChIKeyFPEPFIOASBRCQL-UHFFFAOYSA-N
XLogP2.66
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2-amino-6-methoxyphenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 81414308
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(2-amino-6-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 81413910
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795
(2-chloro-6-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474062
(2,3-difluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 57322240
(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 106876723
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
(2-amino-6-methoxyphenyl)-(4-propan-2-ylphenyl)methanone
CID 81414149
(3-fluoro-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005301
2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 82048621
(3,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 24723233

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone (CID 81413829) is (2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(N)cccc2OC)cc1F.
What is the InChIKey of (2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is FPEPFIOASBRCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-19-12-7-6-9(8-10(12)16)15(18)14-11(17)4-3-5-13(14)20-2/h3-8H,17H2,1-2H3.
What are the key properties of (2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone?
(2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 275.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 81413829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).