N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-fluoropyridin-2-amine

C17H20FN3 — CID 131008130

IUPACN-(1-benzyl-5-methylpyrrolidin-3-yl)-3-fluoropyridin-2-amine
SMILESCC1CC(Nc2ncccc2F)CN1Cc1ccccc1
InChIInChI=1S/C17H20FN3/c1-13-10-15(20-17-16(18)8-5-9-19-17)12-21(13)11-14-6-3-2-4-7-14/h2-9,13,15H,10-12H2,1H3,(H,19,20)
InChIKeyWUIYUUKHTAZISS-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.30
Rot. Bonds4

About N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-fluoropyridin-2-amine

N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-fluoropyridin-2-amine (PubChem CID 131008130) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(1-benzyl-5-methylpyrrolidin-3-yl)-3-fluoropyridin-2-amine
PubChem CID131008130
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC NameN-(1-benzyl-5-methylpyrrolidin-3-yl)-3-fluoropyridin-2-amine
SMILESCC1CC(Nc2ncccc2F)CN1Cc1ccccc1
InChIInChI=1S/C17H20FN3/c1-13-10-15(20-17-16(18)8-5-9-19-17)12-21(13)11-14-6-3-2-4-7-14/h2-9,13,15H,10-12H2,1H3,(H,19,20)
InChIKeyWUIYUUKHTAZISS-UHFFFAOYSA-N
XLogP3.30
TPSA28.16 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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-fluoropyridin-2-amine?
The IUPAC name of N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-fluoropyridin-2-amine (CID 131008130) is N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-fluoropyridin-2-amine.
What is the SMILES notation for N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-fluoropyridin-2-amine?
The canonical SMILES for N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-fluoropyridin-2-amine is CC1CC(Nc2ncccc2F)CN1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-fluoropyridin-2-amine?
The InChIKey is WUIYUUKHTAZISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-13-10-15(20-17-16(18)8-5-9-19-17)12-21(13)11-14-6-3-2-4-7-14/h2-9,13,15H,10-12H2,1H3,(H,19,20).
What are the key properties of N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-fluoropyridin-2-amine?
N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-fluoropyridin-2-amine has a molecular weight of 285.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 131008130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).