3-fluoro-1-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine

C11H16FN3 — CID 61462092

IUPAC3-fluoro-1-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine
SMILESCN1CCC(Nc2cccc(F)c2N)C1
InChIInChI=1S/C11H16FN3/c1-15-6-5-8(7-15)14-10-4-2-3-9(12)11(10)13/h2-4,8,14H,5-7,13H2,1H3
InChIKeyVNIMMVLPPLWANQ-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.52
Rot. Bonds2

About 3-fluoro-1-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine

3-fluoro-1-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine (PubChem CID 61462092) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-fluoro-1-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-1-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine
PubChem CID61462092
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name3-fluoro-1-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine
SMILESCN1CCC(Nc2cccc(F)c2N)C1
InChIInChI=1S/C11H16FN3/c1-15-6-5-8(7-15)14-10-4-2-3-9(12)11(10)13/h2-4,8,14H,5-7,13H2,1H3
InChIKeyVNIMMVLPPLWANQ-UHFFFAOYSA-N
XLogP1.52
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.52
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

2-fluoro-6-[(1-methylpyrrolidin-3-yl)amino]benzonitrile
CID 62733839
1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine
CID 62976686
1-N-cyclopentyl-3-fluorobenzene-1,2-diamine
CID 60783191
N-(2-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-amine
CID 62976143
3-fluoro-1-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]benzene-1,2-diamine
CID 115127179
N-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 62975578
N-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine
CID 82506999
2-fluoro-6-[(1-methylpiperidin-3-yl)amino]benzoic acid
CID 79522040
4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide
CID 62975237
3-fluoro-4-[(1-methylpyrrolidin-3-yl)amino]benzenecarbothioamide
CID 54949542
N-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine
CID 62977442
1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-3-fluorobenzene-1,2-diamine
CID 67344064

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine?
The IUPAC name of 3-fluoro-1-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine (CID 61462092) is 3-fluoro-1-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-1-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-1-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine is CN1CCC(Nc2cccc(F)c2N)C1.
What is the InChIKey of 3-fluoro-1-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine?
The InChIKey is VNIMMVLPPLWANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-15-6-5-8(7-15)14-10-4-2-3-9(12)11(10)13/h2-4,8,14H,5-7,13H2,1H3.
What are the key properties of 3-fluoro-1-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine?
3-fluoro-1-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine has a molecular weight of 209.27 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine is sourced from PubChem (CID 61462092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).