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

C14H15FN2O — CID 55233142

IUPAC4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(Nc2cc(C)ccc2F)ccc1N
InChIInChI=1S/C14H15FN2O/c1-9-3-5-11(15)13(7-9)17-10-4-6-12(16)14(8-10)18-2/h3-8,17H,16H2,1-2H3
InChIKeyTYKWFVXICHPQAZ-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.47
Rot. Bonds3

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

4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine (PubChem CID 55233142) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine
PubChem CID55233142
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(Nc2cc(C)ccc2F)ccc1N
InChIInChI=1S/C14H15FN2O/c1-9-3-5-11(15)13(7-9)17-10-4-6-12(16)14(8-10)18-2/h3-8,17H,16H2,1-2H3
InChIKeyTYKWFVXICHPQAZ-UHFFFAOYSA-N
XLogP3.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.47
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-fluoro-4-methoxyphenyl)-4-methylbenzene-1,2-diamine
CID 43380700
4-N-(4-fluoro-2-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55234359
2-amino-5-(2-fluoro-5-methylanilino)benzamide
CID 61307828
2-fluoro-5-methoxy-1-N-(4-methoxy-3-methylphenyl)benzene-1,4-diamine
CID 107258978
2-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine
CID 114837286
1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine
CID 62912994
2-fluoro-N-(4-fluorophenyl)-5-methylaniline
CID 56637557
1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine
CID 114837167
1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 114837165
1-N-(3,4-difluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63598167
4-fluoro-5-methoxy-1-N-(3-methylphenyl)benzene-1,2-diamine
CID 63600094
4-chloro-5-fluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,2-diamine
CID 114837240

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine (CID 55233142) is 4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine is COc1cc(Nc2cc(C)ccc2F)ccc1N.
What is the InChIKey of 4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine?
The InChIKey is TYKWFVXICHPQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9-3-5-11(15)13(7-9)17-10-4-6-12(16)14(8-10)18-2/h3-8,17H,16H2,1-2H3.
What are the key properties of 4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine?
4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine has a molecular weight of 246.28 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine is sourced from PubChem (CID 55233142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).