N-(4-fluorophenyl)-N-methyl-4-pyrrolidin-2-ylpyridin-2-amine

C16H18FN3 — CID 70943104

IUPACN-(4-fluorophenyl)-N-methyl-4-pyrrolidin-2-ylpyridin-2-amine
SMILESCN(c1ccc(F)cc1)c1cc(C2CCCN2)ccn1
InChIInChI=1S/C16H18FN3/c1-20(14-6-4-13(17)5-7-14)16-11-12(8-10-19-16)15-3-2-9-18-15/h4-8,10-11,15,18H,2-3,9H2,1H3
InChIKeyVXJZEESPLCZUFL-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.41
Rot. Bonds3

About N-(4-fluorophenyl)-N-methyl-4-pyrrolidin-2-ylpyridin-2-amine

N-(4-fluorophenyl)-N-methyl-4-pyrrolidin-2-ylpyridin-2-amine (PubChem CID 70943104) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-4-pyrrolidin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-4-pyrrolidin-2-ylpyridin-2-amine
PubChem CID70943104
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC NameN-(4-fluorophenyl)-N-methyl-4-pyrrolidin-2-ylpyridin-2-amine
SMILESCN(c1ccc(F)cc1)c1cc(C2CCCN2)ccn1
InChIInChI=1S/C16H18FN3/c1-20(14-6-4-13(17)5-7-14)16-11-12(8-10-19-16)15-3-2-9-18-15/h4-8,10-11,15,18H,2-3,9H2,1H3
InChIKeyVXJZEESPLCZUFL-UHFFFAOYSA-N
XLogP3.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487324
N,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 95732568
4-fluoro-2-[(2R)-pyrrolidin-2-yl]pyridine
CID 130713831
1-methoxy-7-pyrrolidin-2-ylisoquinoline
CID 117329098
N,N-dimethyl-3-pyrrolidin-2-ylaniline
CID 3982054
2-(5-methyl-1H-pyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]pyridine
CID 124956755
2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol
CID 77131485
2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine
CID 95846428
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
4-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171195835
6-fluoro-N-(4-fluorophenyl)-N-methylpyrimidin-4-amine
CID 115416846

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-4-pyrrolidin-2-ylpyridin-2-amine?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-4-pyrrolidin-2-ylpyridin-2-amine (CID 70943104) is N-(4-fluorophenyl)-N-methyl-4-pyrrolidin-2-ylpyridin-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-4-pyrrolidin-2-ylpyridin-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-4-pyrrolidin-2-ylpyridin-2-amine is CN(c1ccc(F)cc1)c1cc(C2CCCN2)ccn1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-4-pyrrolidin-2-ylpyridin-2-amine?
The InChIKey is VXJZEESPLCZUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-20(14-6-4-13(17)5-7-14)16-11-12(8-10-19-16)15-3-2-9-18-15/h4-8,10-11,15,18H,2-3,9H2,1H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-4-pyrrolidin-2-ylpyridin-2-amine?
N-(4-fluorophenyl)-N-methyl-4-pyrrolidin-2-ylpyridin-2-amine has a molecular weight of 271.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-4-pyrrolidin-2-ylpyridin-2-amine is sourced from PubChem (CID 70943104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).