4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine

C12H19FN2O — CID 63594460

IUPAC4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine
SMILESCCCN(C)c1cc(OCC)c(F)cc1N
InChIInChI=1S/C12H19FN2O/c1-4-6-15(3)11-8-12(16-5-2)9(13)7-10(11)14/h7-8H,4-6,14H2,1-3H3
InChIKeyWXJQLNPZXMZMNO-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.65
Rot. Bonds5

About 4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine

4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine (PubChem CID 63594460) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine
PubChem CID63594460
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine
SMILESCCCN(C)c1cc(OCC)c(F)cc1N
InChIInChI=1S/C12H19FN2O/c1-4-6-15(3)11-8-12(16-5-2)9(13)7-10(11)14/h7-8H,4-6,14H2,1-3H3
InChIKeyWXJQLNPZXMZMNO-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.65
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

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-methylanilino)acetamide
CID 63592682
4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 63592864
2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 63593222
4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 63981601
4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 63592517
2-N-(2,4-dimethylphenyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 63594129
1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-propoxy-1-N-propylbenzene-1,2-diamine
CID 63592798
1-N-[3-(dimethylamino)propyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine
CID 63695499
4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 63592689
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 63683096
2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide
CID 63592936

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine?
The IUPAC name of 4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine (CID 63594460) is 4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine?
The canonical SMILES for 4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine is CCCN(C)c1cc(OCC)c(F)cc1N.
What is the InChIKey of 4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine?
The InChIKey is WXJQLNPZXMZMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-4-6-15(3)11-8-12(16-5-2)9(13)7-10(11)14/h7-8H,4-6,14H2,1-3H3.
What are the key properties of 4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine?
4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine has a molecular weight of 226.29 g/mol, XLogP of 2.65, 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-methyl-2-N-propylbenzene-1,2-diamine is sourced from PubChem (CID 63594460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).