4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine

C15H17FN2O — CID 103590332

IUPAC4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine
SMILESCOc1ccc(Nc2cc(C)c(F)cc2N)c(C)c1
InChIInChI=1S/C15H17FN2O/c1-9-7-15(13(17)8-12(9)16)18-14-5-4-11(19-3)6-10(14)2/h4-8,18H,17H2,1-3H3
InChIKeySFANBPJSNXVKFY-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.78
Rot. Bonds3

About 4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine

4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine (PubChem CID 103590332) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine
PubChem CID103590332
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine
SMILESCOc1ccc(Nc2cc(C)c(F)cc2N)c(C)c1
InChIInChI=1S/C15H17FN2O/c1-9-7-15(13(17)8-12(9)16)18-14-5-4-11(19-3)6-10(14)2/h4-8,18H,17H2,1-3H3
InChIKeySFANBPJSNXVKFY-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

4-fluoro-5-methoxy-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 63598024
1-N-(2-bromo-5-methoxyphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590503
4-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 62868013
2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 55130091
4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine
CID 63599579
N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
CID 139611066
1-N-(5-chloro-2-methoxyphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589872
1-N-(4-methoxy-2-methylphenyl)-4-nitrobenzene-1,2-diamine
CID 62867874
2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 62867858
1-N-(5-chloro-2-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589946
4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine
CID 103589902
1-fluoro-4-methoxy-2-methylbenzene;methanamine
CID 142516240

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine (CID 103590332) is 4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine is COc1ccc(Nc2cc(C)c(F)cc2N)c(C)c1.
What is the InChIKey of 4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine?
The InChIKey is SFANBPJSNXVKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-9-7-15(13(17)8-12(9)16)18-14-5-4-11(19-3)6-10(14)2/h4-8,18H,17H2,1-3H3.
What are the key properties of 4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine?
4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-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 4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine is sourced from PubChem (CID 103590332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).