[4-fluoro-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]phenyl]methanamine

C17H20FN3 — CID 43576029

IUPAC[4-fluoro-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
SMILESNCc1ccc(F)c(CN2CCCC2c2cccnc2)c1
InChIInChI=1S/C17H20FN3/c18-16-6-5-13(10-19)9-15(16)12-21-8-2-4-17(21)14-3-1-7-20-11-14/h1,3,5-7,9,11,17H,2,4,8,10,12,19H2
InChIKeyKUDIBPZJTOFGFB-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.02
Rot. Bonds4

About [4-fluoro-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]phenyl]methanamine

[4-fluoro-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]phenyl]methanamine (PubChem CID 43576029) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is [4-fluoro-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
PubChem CID43576029
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name[4-fluoro-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
SMILESNCc1ccc(F)c(CN2CCCC2c2cccnc2)c1
InChIInChI=1S/C17H20FN3/c18-16-6-5-13(10-19)9-15(16)12-21-8-2-4-17(21)14-3-1-7-20-11-14/h1,3,5-7,9,11,17H,2,4,8,10,12,19H2
InChIKeyKUDIBPZJTOFGFB-UHFFFAOYSA-N
XLogP3.02
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
CID 146126331
[3-fluoro-5-(2-pyridin-3-ylpyrrolidin-1-yl)phenyl]methanamine
CID 102813506
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
3-[(2S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]pyridine
CID 838789
2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 136547341
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
3-(18F)fluoro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](18F)benzamide
CID 134819949
3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
CID 40501419
3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872916
2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 131932086
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
2,4-diiodo-6-[(2-pyridin-3-ylpiperidin-1-yl)methyl]phenol
CID 2857406

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]phenyl]methanamine (CID 43576029) is [4-fluoro-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]phenyl]methanamine is NCc1ccc(F)c(CN2CCCC2c2cccnc2)c1.
What is the InChIKey of [4-fluoro-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is KUDIBPZJTOFGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c18-16-6-5-13(10-19)9-15(16)12-21-8-2-4-17(21)14-3-1-7-20-11-14/h1,3,5-7,9,11,17H,2,4,8,10,12,19H2.
What are the key properties of [4-fluoro-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]phenyl]methanamine?
[4-fluoro-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 285.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 43576029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).