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

C15H23FN2O — CID 63594476

IUPAC2-N-cyclopropyl-4-ethoxy-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine
SMILESCCOc1cc(N(CC(C)C)C2CC2)c(N)cc1F
InChIInChI=1S/C15H23FN2O/c1-4-19-15-8-14(13(17)7-12(15)16)18(9-10(2)3)11-5-6-11/h7-8,10-11H,4-6,9,17H2,1-3H3
InChIKeyVEOOELJFHXBYRY-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.43
Rot. Bonds6

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

2-N-cyclopropyl-4-ethoxy-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine (PubChem CID 63594476) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-ethoxy-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-4-ethoxy-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine
PubChem CID63594476
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-N-cyclopropyl-4-ethoxy-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine
SMILESCCOc1cc(N(CC(C)C)C2CC2)c(N)cc1F
InChIInChI=1S/C15H23FN2O/c1-4-19-15-8-14(13(17)7-12(15)16)18(9-10(2)3)11-5-6-11/h7-8,10-11H,4-6,9,17H2,1-3H3
InChIKeyVEOOELJFHXBYRY-UHFFFAOYSA-N
XLogP3.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.43
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-cyclopropyl-4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592082
2-N-cyclopropyl-4-(difluoromethoxy)-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 63591908
2-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)ethanol
CID 63593939
3-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)propanenitrile
CID 63594298
1-N-cyclopropyl-2-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,4-diamine
CID 107259031
4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 63981601
4-fluoro-1-N-(2-methylpropyl)-1-N-propan-2-yl-5-propoxybenzene-1,2-diamine
CID 63591731
4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(3-methylbutyl)benzene-1,2-diamine
CID 116735733
2-N-cyclohexyl-4-(difluoromethoxy)-2-N-ethyl-5-fluorobenzene-1,2-diamine
CID 63594154
4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline
CID 63594139
4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine
CID 63594460
2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline
CID 102739879

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-ethoxy-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-4-ethoxy-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine (CID 63594476) is 2-N-cyclopropyl-4-ethoxy-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-4-ethoxy-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-4-ethoxy-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine is CCOc1cc(N(CC(C)C)C2CC2)c(N)cc1F.
What is the InChIKey of 2-N-cyclopropyl-4-ethoxy-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine?
The InChIKey is VEOOELJFHXBYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-4-19-15-8-14(13(17)7-12(15)16)18(9-10(2)3)11-5-6-11/h7-8,10-11H,4-6,9,17H2,1-3H3.
What are the key properties of 2-N-cyclopropyl-4-ethoxy-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine?
2-N-cyclopropyl-4-ethoxy-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine has a molecular weight of 266.36 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-ethoxy-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 63594476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).