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

C14H14F2N2O2 — CID 62532309

IUPAC2-N-(2,4-dimethoxyphenyl)-3,4-difluorobenzene-1,2-diamine
SMILESCOc1ccc(Nc2c(N)ccc(F)c2F)c(OC)c1
InChIInChI=1S/C14H14F2N2O2/c1-19-8-3-6-11(12(7-8)20-2)18-14-10(17)5-4-9(15)13(14)16/h3-7,18H,17H2,1-2H3
InChIKeyXOIASYWOXPJXIT-UHFFFAOYSA-N
MW280.27 g/mol
LogP3.31
Rot. Bonds4

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

2-N-(2,4-dimethoxyphenyl)-3,4-difluorobenzene-1,2-diamine (PubChem CID 62532309) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-N-(2,4-dimethoxyphenyl)-3,4-difluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethoxyphenyl)-3,4-difluorobenzene-1,2-diamine
PubChem CID62532309
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Name2-N-(2,4-dimethoxyphenyl)-3,4-difluorobenzene-1,2-diamine
SMILESCOc1ccc(Nc2c(N)ccc(F)c2F)c(OC)c1
InChIInChI=1S/C14H14F2N2O2/c1-19-8-3-6-11(12(7-8)20-2)18-14-10(17)5-4-9(15)13(14)16/h3-7,18H,17H2,1-2H3
InChIKeyXOIASYWOXPJXIT-UHFFFAOYSA-N
XLogP3.31
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 53.31
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-(3-bromo-5-methoxyphenyl)-3,4-difluorobenzene-1,2-diamine
CID 82857399
6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112878647
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
3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine
CID 59386306
2-N-(4-bromo-2-methylphenyl)-3,4-difluorobenzene-1,2-diamine
CID 62533328
3,4-difluoro-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 62533324
2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid
CID 62648655
N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2621668
2,4-dimethoxy-N-methylaniline;ethane
CID 143206191
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
4-chloro-3-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine
CID 114271071

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethoxyphenyl)-3,4-difluorobenzene-1,2-diamine?
The IUPAC name of 2-N-(2,4-dimethoxyphenyl)-3,4-difluorobenzene-1,2-diamine (CID 62532309) is 2-N-(2,4-dimethoxyphenyl)-3,4-difluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2,4-dimethoxyphenyl)-3,4-difluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(2,4-dimethoxyphenyl)-3,4-difluorobenzene-1,2-diamine is COc1ccc(Nc2c(N)ccc(F)c2F)c(OC)c1.
What is the InChIKey of 2-N-(2,4-dimethoxyphenyl)-3,4-difluorobenzene-1,2-diamine?
The InChIKey is XOIASYWOXPJXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c1-19-8-3-6-11(12(7-8)20-2)18-14-10(17)5-4-9(15)13(14)16/h3-7,18H,17H2,1-2H3.
What are the key properties of 2-N-(2,4-dimethoxyphenyl)-3,4-difluorobenzene-1,2-diamine?
2-N-(2,4-dimethoxyphenyl)-3,4-difluorobenzene-1,2-diamine has a molecular weight of 280.27 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethoxyphenyl)-3,4-difluorobenzene-1,2-diamine is sourced from PubChem (CID 62532309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).