1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine

C14H15FN2O — CID 114837165

IUPAC1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine
SMILESCOc1cc(Nc2ccc(N)cc2C)ccc1F
InChIInChI=1S/C14H15FN2O/c1-9-7-10(16)3-6-13(9)17-11-4-5-12(15)14(8-11)18-2/h3-8,17H,16H2,1-2H3
InChIKeyZZYPXXDKKWXWHA-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.47
Rot. Bonds3

About 1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine

1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine (PubChem CID 114837165) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine
PubChem CID114837165
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine
SMILESCOc1cc(Nc2ccc(N)cc2C)ccc1F
InChIInChI=1S/C14H15FN2O/c1-9-7-10(16)3-6-13(9)17-11-4-5-12(15)14(8-11)18-2/h3-8,17H,16H2,1-2H3
InChIKeyZZYPXXDKKWXWHA-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

5-amino-2-(4-fluoro-3-methoxyanilino)benzamide
CID 114840634
1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine
CID 114837167
2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine
CID 114837137
1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine
CID 114837261
2-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine
CID 114837286
4-chloro-5-fluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,2-diamine
CID 114837240
2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine
CID 114837203
3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine
CID 55091364
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398
4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine
CID 55233142
2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 55130091
1-N-(3,4-difluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63598167

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine (CID 114837165) is 1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine is COc1cc(Nc2ccc(N)cc2C)ccc1F.
What is the InChIKey of 1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine?
The InChIKey is ZZYPXXDKKWXWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9-7-10(16)3-6-13(9)17-11-4-5-12(15)14(8-11)18-2/h3-8,17H,16H2,1-2H3.
What are the key properties of 1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine?
1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-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 1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 114837165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).