4-N-(5-ethyl-2-methoxyphenyl)-2-fluorobenzene-1,4-diamine

C15H17FN2O — CID 115123751

IUPAC4-N-(5-ethyl-2-methoxyphenyl)-2-fluorobenzene-1,4-diamine
SMILESCCc1ccc(OC)c(Nc2ccc(N)c(F)c2)c1
InChIInChI=1S/C15H17FN2O/c1-3-10-4-7-15(19-2)14(8-10)18-11-5-6-13(17)12(16)9-11/h4-9,18H,3,17H2,1-2H3
InChIKeyGXBLBIXWTXOCIP-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.72
Rot. Bonds4

About 4-N-(5-ethyl-2-methoxyphenyl)-2-fluorobenzene-1,4-diamine

4-N-(5-ethyl-2-methoxyphenyl)-2-fluorobenzene-1,4-diamine (PubChem CID 115123751) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-N-(5-ethyl-2-methoxyphenyl)-2-fluorobenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-ethyl-2-methoxyphenyl)-2-fluorobenzene-1,4-diamine
PubChem CID115123751
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name4-N-(5-ethyl-2-methoxyphenyl)-2-fluorobenzene-1,4-diamine
SMILESCCc1ccc(OC)c(Nc2ccc(N)c(F)c2)c1
InChIInChI=1S/C15H17FN2O/c1-3-10-4-7-15(19-2)14(8-10)18-11-5-6-13(17)12(16)9-11/h4-9,18H,3,17H2,1-2H3
InChIKeyGXBLBIXWTXOCIP-UHFFFAOYSA-N
XLogP3.72
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-(5-ethyl-2-methoxyphenyl)-2-fluorobenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine
CID 115124269
3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline
CID 82536880
1-N-(3-fluoro-4-methoxyphenyl)-4-methylbenzene-1,2-diamine
CID 43380700
1-N-(3,4-difluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63598167
N-(2-chloroethyl)-5-ethyl-2-methoxyaniline
CID 115214591
5-N-(3-fluoro-4-methoxyphenyl)quinoline-5,8-diamine
CID 43449573
N-(bromomethyl)-5-ethyl-2-methoxyaniline
CID 115261556
N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine
CID 115226519
4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine
CID 55233142
4-N-(3-fluoro-4-methoxyphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 43380714
2-fluoro-5-methoxy-1-N-(4-methoxy-3-methylphenyl)benzene-1,4-diamine
CID 107258978
2-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine
CID 114837286

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-ethyl-2-methoxyphenyl)-2-fluorobenzene-1,4-diamine?
The IUPAC name of 4-N-(5-ethyl-2-methoxyphenyl)-2-fluorobenzene-1,4-diamine (CID 115123751) is 4-N-(5-ethyl-2-methoxyphenyl)-2-fluorobenzene-1,4-diamine.
What is the SMILES notation for 4-N-(5-ethyl-2-methoxyphenyl)-2-fluorobenzene-1,4-diamine?
The canonical SMILES for 4-N-(5-ethyl-2-methoxyphenyl)-2-fluorobenzene-1,4-diamine is CCc1ccc(OC)c(Nc2ccc(N)c(F)c2)c1.
What is the InChIKey of 4-N-(5-ethyl-2-methoxyphenyl)-2-fluorobenzene-1,4-diamine?
The InChIKey is GXBLBIXWTXOCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-3-10-4-7-15(19-2)14(8-10)18-11-5-6-13(17)12(16)9-11/h4-9,18H,3,17H2,1-2H3.
What are the key properties of 4-N-(5-ethyl-2-methoxyphenyl)-2-fluorobenzene-1,4-diamine?
4-N-(5-ethyl-2-methoxyphenyl)-2-fluorobenzene-1,4-diamine has a molecular weight of 260.31 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-ethyl-2-methoxyphenyl)-2-fluorobenzene-1,4-diamine is sourced from PubChem (CID 115123751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).