1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine

C14H15FN2O2 — CID 60783176

IUPAC1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine
SMILESCOc1ccc(Nc2cccc(F)c2N)cc1OC
InChIInChI=1S/C14H15FN2O2/c1-18-12-7-6-9(8-13(12)19-2)17-11-5-3-4-10(15)14(11)16/h3-8,17H,16H2,1-2H3
InChIKeyOHBYSPJHLOSUJI-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.17
Rot. Bonds4

About 1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine

1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine (PubChem CID 60783176) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine
PubChem CID60783176
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine
SMILESCOc1ccc(Nc2cccc(F)c2N)cc1OC
InChIInChI=1S/C14H15FN2O2/c1-18-12-7-6-9(8-13(12)19-2)17-11-5-3-4-10(15)14(11)16/h3-8,17H,16H2,1-2H3
InChIKeyOHBYSPJHLOSUJI-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-(4-bromo-3-methoxyphenyl)-3-fluorobenzene-1,2-diamine
CID 82858496
1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine
CID 114837261
2-(3,4-dimethoxyanilino)-6-fluorobenzenecarbothioamide
CID 79516459
2-amino-3-(3,4-dimethoxyanilino)benzamide
CID 115544343
3-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine
CID 115126986
1-N-(2-fluorophenyl)-3-methoxybenzene-1,2-diamine
CID 113392493
2-(3-chloro-4-methoxyanilino)-6-fluorobenzenecarbothioamide
CID 79513674
3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 60789932
3-N-(3,4-dimethoxyphenyl)-5-fluorobenzene-1,3-diamine
CID 60876893
N-(4-chloro-3-methoxyphenyl)-3-fluoro-2-nitroaniline
CID 107622617
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluorobenzene-1,2-diamine
CID 60782998
4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866559

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine (CID 60783176) is 1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine is COc1ccc(Nc2cccc(F)c2N)cc1OC.
What is the InChIKey of 1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine?
The InChIKey is OHBYSPJHLOSUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-18-12-7-6-9(8-13(12)19-2)17-11-5-3-4-10(15)14(11)16/h3-8,17H,16H2,1-2H3.
What are the key properties of 1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine?
1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-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-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine is sourced from PubChem (CID 60783176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).