3-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine

C15H17FN2O — CID 115126986

IUPAC3-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine
SMILESCOc1ccc(Nc2cccc(F)c2N)c(C)c1C
InChIInChI=1S/C15H17FN2O/c1-9-10(2)14(19-3)8-7-12(9)18-13-6-4-5-11(16)15(13)17/h4-8,18H,17H2,1-3H3
InChIKeyXUPXPFPHVXUCJV-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.78
Rot. Bonds3

About 3-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine

3-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine (PubChem CID 115126986) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine
PubChem CID115126986
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name3-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine
SMILESCOc1ccc(Nc2cccc(F)c2N)c(C)c1C
InChIInChI=1S/C15H17FN2O/c1-9-10(2)14(19-3)8-7-12(9)18-13-6-4-5-11(16)15(13)17/h4-8,18H,17H2,1-3H3
InChIKeyXUPXPFPHVXUCJV-UHFFFAOYSA-N
XLogP3.78
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine
CID 60783176
1-N-(2-fluorophenyl)-3-methoxybenzene-1,2-diamine
CID 113392493
4-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine
CID 115124711
3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 60789566
1-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzene-1,2-diamine
CID 82858496
methyl 2-amino-3-(3-fluoro-2-methylanilino)benzoate
CID 115545598
3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 60789932
3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 63077293
1-N-(4-chloro-2-iodophenyl)-3-methoxybenzene-1,2-diamine
CID 107634287
3-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,2-diamine
CID 107643367
1-N-[(3-bromo-4-methoxyphenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 115127077
1-N-(5-chloro-2-fluorophenyl)-3-fluorobenzene-1,2-diamine
CID 60789569

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine?
The IUPAC name of 3-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine (CID 115126986) is 3-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine is COc1ccc(Nc2cccc(F)c2N)c(C)c1C.
What is the InChIKey of 3-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine?
The InChIKey is XUPXPFPHVXUCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-9-10(2)14(19-3)8-7-12(9)18-13-6-4-5-11(16)15(13)17/h4-8,18H,17H2,1-3H3.
What are the key properties of 3-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine?
3-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine has a molecular weight of 260.31 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 115126986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).