1-N-(2-fluorophenyl)-3-methoxybenzene-1,2-diamine

C13H13FN2O — CID 113392493

IUPAC1-N-(2-fluorophenyl)-3-methoxybenzene-1,2-diamine
SMILESCOc1cccc(Nc2ccccc2F)c1N
InChIInChI=1S/C13H13FN2O/c1-17-12-8-4-7-11(13(12)15)16-10-6-3-2-5-9(10)14/h2-8,16H,15H2,1H3
InChIKeyHYDIYVQVEHTUPI-UHFFFAOYSA-N
MW232.26 g/mol
LogP3.16
Rot. Bonds3

About 1-N-(2-fluorophenyl)-3-methoxybenzene-1,2-diamine

1-N-(2-fluorophenyl)-3-methoxybenzene-1,2-diamine (PubChem CID 113392493) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-N-(2-fluorophenyl)-3-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-fluorophenyl)-3-methoxybenzene-1,2-diamine
PubChem CID113392493
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name1-N-(2-fluorophenyl)-3-methoxybenzene-1,2-diamine
SMILESCOc1cccc(Nc2ccccc2F)c1N
InChIInChI=1S/C13H13FN2O/c1-17-12-8-4-7-11(13(12)15)16-10-6-3-2-5-9(10)14/h2-8,16H,15H2,1H3
InChIKeyHYDIYVQVEHTUPI-UHFFFAOYSA-N
XLogP3.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.16
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

3-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,2-diamine
CID 107643367
1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine
CID 114837261
4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine
CID 63599048
3-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine
CID 115126986
1-N-(4-chloro-2-iodophenyl)-3-methoxybenzene-1,2-diamine
CID 107634287
1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine
CID 60783176
2,4-difluoro-N-(2-methoxyphenyl)aniline
CID 82537085
1-N-acridin-1-yl-3-methoxybenzene-1,2-diamine
CID 87747346
3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 63077293
1-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzene-1,2-diamine
CID 82858496
2,6-dimethoxyaniline;ethane
CID 145233133
2-(2,6-dimethoxyphenyl)-6-fluoroaniline
CID 107602899

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-fluorophenyl)-3-methoxybenzene-1,2-diamine?
The IUPAC name of 1-N-(2-fluorophenyl)-3-methoxybenzene-1,2-diamine (CID 113392493) is 1-N-(2-fluorophenyl)-3-methoxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-fluorophenyl)-3-methoxybenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-fluorophenyl)-3-methoxybenzene-1,2-diamine is COc1cccc(Nc2ccccc2F)c1N.
What is the InChIKey of 1-N-(2-fluorophenyl)-3-methoxybenzene-1,2-diamine?
The InChIKey is HYDIYVQVEHTUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-17-12-8-4-7-11(13(12)15)16-10-6-3-2-5-9(10)14/h2-8,16H,15H2,1H3.
What are the key properties of 1-N-(2-fluorophenyl)-3-methoxybenzene-1,2-diamine?
1-N-(2-fluorophenyl)-3-methoxybenzene-1,2-diamine has a molecular weight of 232.26 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-fluorophenyl)-3-methoxybenzene-1,2-diamine is sourced from PubChem (CID 113392493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).