2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline

C11H15FN2 — CID 84665550

IUPAC2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline
SMILESNc1ccc(CC2CCCN2)cc1F
InChIInChI=1S/C11H15FN2/c12-10-7-8(3-4-11(10)13)6-9-2-1-5-14-9/h3-4,7,9,14H,1-2,5-6,13H2
InChIKeyMGNHZCJHZRGNDD-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.70
Rot. Bonds2

About 2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline

2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline (PubChem CID 84665550) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline
PubChem CID84665550
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline
SMILESNc1ccc(CC2CCCN2)cc1F
InChIInChI=1S/C11H15FN2/c12-10-7-8(3-4-11(10)13)6-9-2-1-5-14-9/h3-4,7,9,14H,1-2,5-6,13H2
InChIKeyMGNHZCJHZRGNDD-UHFFFAOYSA-N
XLogP1.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.70
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

2-fluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 82606233
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 104688006
2-fluoro-4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]aniline
CID 102820426
2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine
CID 178108165
1-[[2-fluoro-4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperidine
CID 117443093
3-fluoro-5-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117301523
2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 117320360
2-[(3-fluoro-4-methylsulfonylphenyl)methyl]piperidine
CID 117431316
2-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]piperidine
CID 82499355
2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine
CID 117296650
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline?
The IUPAC name of 2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline (CID 84665550) is 2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline is Nc1ccc(CC2CCCN2)cc1F.
What is the InChIKey of 2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline?
The InChIKey is MGNHZCJHZRGNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c12-10-7-8(3-4-11(10)13)6-9-2-1-5-14-9/h3-4,7,9,14H,1-2,5-6,13H2.
What are the key properties of 2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline?
2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline has a molecular weight of 194.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline is sourced from PubChem (CID 84665550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).