4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine

C11H17FN2 — CID 18334758

IUPAC4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
SMILESCC(C)CCNc1ccc(F)cc1N
InChIInChI=1S/C11H17FN2/c1-8(2)5-6-14-11-4-3-9(12)7-10(11)13/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeyGUPLKDIKPSMMIR-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.87
Rot. Bonds4

About 4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine

4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine (PubChem CID 18334758) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
PubChem CID18334758
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
SMILESCC(C)CCNc1ccc(F)cc1N
InChIInChI=1S/C11H17FN2/c1-8(2)5-6-14-11-4-3-9(12)7-10(11)13/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeyGUPLKDIKPSMMIR-UHFFFAOYSA-N
XLogP2.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
3-amino-4-(3-methylbutylamino)benzamide
CID 43448346
4-fluoro-1-N-(3-methylsulfanylpropyl)benzene-1,2-diamine
CID 63982479
4-(2-amino-5-fluoroanilino)butan-2-ol
CID 64927265
5-(2-amino-4-fluoroanilino)pentan-1-ol
CID 107316402
4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine
CID 104591215
2-fluoro-4-methyl-N-(3-methylbutyl)aniline
CID 28877553
3-amino-4-(3-methylbutylamino)-N,N-bis(2,2,2-trifluoroethyl)benzamide
CID 11668137
5-fluoro-2-(3-methylbutyl)aniline
CID 105439652
4-fluoro-1-N-[2-(1-methylpiperidin-3-yl)ethyl]benzene-1,2-diamine
CID 115124856
4-methyl-3-N-(3-methylbutyl)benzene-1,3-diamine
CID 62590495
4-fluoro-1-N-(3-methylbut-2-enyl)benzene-1,2-diamine
CID 106182061

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine (CID 18334758) is 4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine is CC(C)CCNc1ccc(F)cc1N.
What is the InChIKey of 4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine?
The InChIKey is GUPLKDIKPSMMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-8(2)5-6-14-11-4-3-9(12)7-10(11)13/h3-4,7-8,14H,5-6,13H2,1-2H3.
What are the key properties of 4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine?
4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine has a molecular weight of 196.27 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine is sourced from PubChem (CID 18334758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).