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

C14H15FN2O2 — CID 114837167

IUPAC1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine
SMILESCOc1ccc(Nc2ccc(F)c(OC)c2)c(N)c1
InChIInChI=1S/C14H15FN2O2/c1-18-10-4-6-13(12(16)8-10)17-9-3-5-11(15)14(7-9)19-2/h3-8,17H,16H2,1-2H3
InChIKeyAKEYANGSKLSPQX-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.17
Rot. Bonds4

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

1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine (PubChem CID 114837167) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine
PubChem CID114837167
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine
SMILESCOc1ccc(Nc2ccc(F)c(OC)c2)c(N)c1
InChIInChI=1S/C14H15FN2O2/c1-18-10-4-6-13(12(16)8-10)17-9-3-5-11(15)14(7-9)19-2/h3-8,17H,16H2,1-2H3
InChIKeyAKEYANGSKLSPQX-UHFFFAOYSA-N
XLogP3.17
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
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
1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine
CID 114837261
1-N-(3-fluoro-4-methoxyphenyl)-4-methylbenzene-1,2-diamine
CID 43380700
4-fluoro-5-methoxy-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 63598024
2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine
CID 114837137
5-N-(4-fluoro-3-methoxyphenyl)quinoline-5,8-diamine
CID 114837272
5-amino-2-(4-fluoro-3-methoxyanilino)benzamide
CID 114840634
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

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine?
The IUPAC name of 1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine (CID 114837167) is 1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine?
The canonical SMILES for 1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine is COc1ccc(Nc2ccc(F)c(OC)c2)c(N)c1.
What is the InChIKey of 1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine?
The InChIKey is AKEYANGSKLSPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-18-10-4-6-13(12(16)8-10)17-9-3-5-11(15)14(7-9)19-2/h3-8,17H,16H2,1-2H3.
What are the key properties of 1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine?
1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine has a molecular weight of 262.28 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine is sourced from PubChem (CID 114837167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).