3-fluoro-1-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]benzene-1,2-diamine

C15H24FN3 — CID 115127179

IUPAC3-fluoro-1-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]benzene-1,2-diamine
SMILESCN1CCC(C(C)(C)CNc2cccc(F)c2N)C1
InChIInChI=1S/C15H24FN3/c1-15(2,11-7-8-19(3)9-11)10-18-13-6-4-5-12(16)14(13)17/h4-6,11,18H,7-10,17H2,1-3H3
InChIKeyBBDWHTKHYHHQDF-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.80
Rot. Bonds4

About 3-fluoro-1-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]benzene-1,2-diamine

3-fluoro-1-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]benzene-1,2-diamine (PubChem CID 115127179) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-fluoro-1-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-1-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]benzene-1,2-diamine
PubChem CID115127179
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name3-fluoro-1-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]benzene-1,2-diamine
SMILESCN1CCC(C(C)(C)CNc2cccc(F)c2N)C1
InChIInChI=1S/C15H24FN3/c1-15(2,11-7-8-19(3)9-11)10-18-13-6-4-5-12(16)14(13)17/h4-6,11,18H,7-10,17H2,1-3H3
InChIKeyBBDWHTKHYHHQDF-UHFFFAOYSA-N
XLogP2.80
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-1-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine
CID 61462092
1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine
CID 61167849
1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine
CID 60783209
2-fluoro-6-[(1-methylpiperidin-4-yl)methyl]aniline
CID 105479556
1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250724
1-N-butyl-3-fluorobenzene-1,2-diamine
CID 60783282
3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine
CID 53255756
3-fluoro-1-N-(5-methylhexyl)benzene-1,2-diamine
CID 115324654
3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine
CID 115214441
3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115155136
1-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluorobenzene-1,2-diamine
CID 114399471
1-methyl-3-(2-methylbutan-2-yl)pyrrolidine
CID 129106499

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]benzene-1,2-diamine?
The IUPAC name of 3-fluoro-1-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]benzene-1,2-diamine (CID 115127179) is 3-fluoro-1-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-1-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-1-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]benzene-1,2-diamine is CN1CCC(C(C)(C)CNc2cccc(F)c2N)C1.
What is the InChIKey of 3-fluoro-1-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]benzene-1,2-diamine?
The InChIKey is BBDWHTKHYHHQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-15(2,11-7-8-19(3)9-11)10-18-13-6-4-5-12(16)14(13)17/h4-6,11,18H,7-10,17H2,1-3H3.
What are the key properties of 3-fluoro-1-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]benzene-1,2-diamine?
3-fluoro-1-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]benzene-1,2-diamine has a molecular weight of 265.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]benzene-1,2-diamine is sourced from PubChem (CID 115127179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).