2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine

C13H20N2O — CID 70084803

IUPAC2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine
SMILESCc1ncccc1OCC[C@@H]1CCCN1C
InChIInChI=1S/C13H20N2O/c1-11-13(6-3-8-14-11)16-10-7-12-5-4-9-15(12)2/h3,6,8,12H,4-5,7,9-10H2,1-2H3/t12-/m0/s1
InChIKeyJVLYEVMUHKTEAI-LBPRGKRZSA-N
MW220.32 g/mol
LogP2.25
Rot. Bonds4

About 2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine

2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine (PubChem CID 70084803) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine.

Molecular Properties

Compound Name2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine
PubChem CID70084803
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine
SMILESCc1ncccc1OCC[C@@H]1CCCN1C
InChIInChI=1S/C13H20N2O/c1-11-13(6-3-8-14-11)16-10-7-12-5-4-9-15(12)2/h3,6,8,12H,4-5,7,9-10H2,1-2H3/t12-/m0/s1
InChIKeyJVLYEVMUHKTEAI-LBPRGKRZSA-N
XLogP2.25
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine
CID 23339554
2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 23339385
2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 104835031
2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
CID 10499737
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methanol
CID 81238136
8-[2-(1-methylpyrrolidin-2-yl)ethoxy]quinolin-2-amine
CID 22254585
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
(2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine
CID 124942694
[2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 114879953
1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913183
2-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 79510932

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine?
The IUPAC name of 2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine (CID 70084803) is 2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine.
What is the SMILES notation for 2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine?
The canonical SMILES for 2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine is Cc1ncccc1OCC[C@@H]1CCCN1C.
What is the InChIKey of 2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine?
The InChIKey is JVLYEVMUHKTEAI-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-13(6-3-8-14-11)16-10-7-12-5-4-9-15(12)2/h3,6,8,12H,4-5,7,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine?
2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine has a molecular weight of 220.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine is sourced from PubChem (CID 70084803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).