2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine

C17H21FN2 — CID 19043346

IUPAC2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine
SMILESCC(C)CCNc1ccccc1Nc1ccccc1F
InChIInChI=1S/C17H21FN2/c1-13(2)11-12-19-16-9-5-6-10-17(16)20-15-8-4-3-7-14(15)18/h3-10,13,19-20H,11-12H2,1-2H3
InChIKeyOOINSZSFFIBATC-UHFFFAOYSA-N
MW272.37 g/mol
LogP5.03
Rot. Bonds6

About 2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine

2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine (PubChem CID 19043346) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine
PubChem CID19043346
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine
SMILESCC(C)CCNc1ccccc1Nc1ccccc1F
InChIInChI=1S/C17H21FN2/c1-13(2)11-12-19-16-9-5-6-10-17(16)20-15-8-4-3-7-14(15)18/h3-10,13,19-20H,11-12H2,1-2H3
InChIKeyOOINSZSFFIBATC-UHFFFAOYSA-N
XLogP5.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.37
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine (CID 19043346) is 2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine is CC(C)CCNc1ccccc1Nc1ccccc1F.
What is the InChIKey of 2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine?
The InChIKey is OOINSZSFFIBATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-13(2)11-12-19-16-9-5-6-10-17(16)20-15-8-4-3-7-14(15)18/h3-10,13,19-20H,11-12H2,1-2H3.
What are the key properties of 2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine?
2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine has a molecular weight of 272.37 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine is sourced from PubChem (CID 19043346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).