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

C14H15FN2O2 — CID 114837261

IUPAC1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine
SMILESCOc1cc(Nc2cccc(OC)c2N)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-18-12-5-3-4-11(14(12)16)17-9-6-7-10(15)13(8-9)19-2/h3-8,17H,16H2,1-2H3
InChIKeySPYCOEJKQJSARK-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.17
Rot. Bonds4

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

1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine (PubChem CID 114837261) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine
PubChem CID114837261
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine
SMILESCOc1cc(Nc2cccc(OC)c2N)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-18-12-5-3-4-11(14(12)16)17-9-6-7-10(15)13(8-9)19-2/h3-8,17H,16H2,1-2H3
InChIKeySPYCOEJKQJSARK-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

1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine
CID 60783176
1-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzene-1,2-diamine
CID 82858496
1-N-(2-fluorophenyl)-3-methoxybenzene-1,2-diamine
CID 113392493
3-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,2-diamine
CID 107643367
1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine
CID 114837167
2-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine
CID 114837286
1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 114837165
4-chloro-5-fluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,2-diamine
CID 114837240
2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine
CID 114837137
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398
1-N-(3,4-difluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63598167
1-N-(4-chloro-2-iodophenyl)-3-methoxybenzene-1,2-diamine
CID 107634287

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine?
The IUPAC name of 1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine (CID 114837261) is 1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine?
The canonical SMILES for 1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine is COc1cc(Nc2cccc(OC)c2N)ccc1F.
What is the InChIKey of 1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine?
The InChIKey is SPYCOEJKQJSARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-18-12-5-3-4-11(14(12)16)17-9-6-7-10(15)13(8-9)19-2/h3-8,17H,16H2,1-2H3.
What are the key properties of 1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine?
1-N-(4-fluoro-3-methoxyphenyl)-3-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)-3-methoxybenzene-1,2-diamine is sourced from PubChem (CID 114837261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).