4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine

C16H18F2N2O — CID 63592864

IUPAC4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
SMILESCCOc1cc(N(C)Cc2ccc(F)cc2)c(N)cc1F
InChIInChI=1S/C16H18F2N2O/c1-3-21-16-9-15(14(19)8-13(16)18)20(2)10-11-4-6-12(17)7-5-11/h4-9H,3,10,19H2,1-2H3
InChIKeyOHCFUFWJZHOGQD-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.58
Rot. Bonds5

About 4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine

4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine (PubChem CID 63592864) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
PubChem CID63592864
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
SMILESCCOc1cc(N(C)Cc2ccc(F)cc2)c(N)cc1F
InChIInChI=1S/C16H18F2N2O/c1-3-21-16-9-15(14(19)8-13(16)18)20(2)10-11-4-6-12(17)7-5-11/h4-9H,3,10,19H2,1-2H3
InChIKeyOHCFUFWJZHOGQD-UHFFFAOYSA-N
XLogP3.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(4-ethylphenyl)methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine
CID 63600105
4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine
CID 63594460
2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide
CID 63592682
1-N-benzyl-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592554
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 61414834
4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 63981601
2-N-(2,4-dimethylphenyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 63594129
4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 63594485
2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 63593222
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine
CID 103590061
4-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)benzonitrile
CID 63593061
4-fluoro-1-N-methyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 28798518

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine (CID 63592864) is 4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine is CCOc1cc(N(C)Cc2ccc(F)cc2)c(N)cc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine?
The InChIKey is OHCFUFWJZHOGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-3-21-16-9-15(14(19)8-13(16)18)20(2)10-11-4-6-12(17)7-5-11/h4-9H,3,10,19H2,1-2H3.
What are the key properties of 4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine?
4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine has a molecular weight of 292.33 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 63592864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).