4-ethoxy-5-fluoro-2-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine

C15H16F2N2O — CID 63592330

IUPAC4-ethoxy-5-fluoro-2-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
SMILESCCOc1cc(Nc2ccc(F)cc2C)c(N)cc1F
InChIInChI=1S/C15H16F2N2O/c1-3-20-15-8-14(12(18)7-11(15)17)19-13-5-4-10(16)6-9(13)2/h4-8,19H,3,18H2,1-2H3
InChIKeyXWZVRFIWFVGZFO-UHFFFAOYSA-N
MW278.30 g/mol
LogP4.00
Rot. Bonds4

About 4-ethoxy-5-fluoro-2-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine

4-ethoxy-5-fluoro-2-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine (PubChem CID 63592330) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
PubChem CID63592330
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name4-ethoxy-5-fluoro-2-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
SMILESCCOc1cc(Nc2ccc(F)cc2C)c(N)cc1F
InChIInChI=1S/C15H16F2N2O/c1-3-20-15-8-14(12(18)7-11(15)17)19-13-5-4-10(16)6-9(13)2/h4-8,19H,3,18H2,1-2H3
InChIKeyXWZVRFIWFVGZFO-UHFFFAOYSA-N
XLogP4.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 54.00
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

4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine
CID 63599579
4-ethoxy-5-fluoro-2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 63592152
4-ethoxy-5-fluoro-2-N-(2,3,5-trifluorophenyl)benzene-1,2-diamine
CID 63591998
2-N-(4-bromo-2,3-dichlorophenyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 107786999
2-N-(2,5-dibromophenyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 63594469
4-(2-amino-5-ethoxy-4-fluoroanilino)-3-chlorobenzonitrile
CID 107807032
4-fluoro-5-methoxy-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 63598024
2-N-(2-bromo-3-chlorophenyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 103477452
1-N-(2-bromo-4-fluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63597815
1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine
CID 43165593
4-bromo-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
CID 29067383
1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 29066421

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 4-ethoxy-5-fluoro-2-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine (CID 63592330) is 4-ethoxy-5-fluoro-2-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-ethoxy-5-fluoro-2-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine is CCOc1cc(Nc2ccc(F)cc2C)c(N)cc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine?
The InChIKey is XWZVRFIWFVGZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-3-20-15-8-14(12(18)7-11(15)17)19-13-5-4-10(16)6-9(13)2/h4-8,19H,3,18H2,1-2H3.
What are the key properties of 4-ethoxy-5-fluoro-2-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine?
4-ethoxy-5-fluoro-2-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine has a molecular weight of 278.30 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluoro-2-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 63592330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).