3-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-2-propoxypyridine

C19H24N2O2 — CID 66753085

IUPAC3-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-2-propoxypyridine
SMILESCCCOc1ncccc1OC(c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C19H24N2O2/c1-2-13-22-19-17(9-6-11-21-19)23-18(16-10-12-20-14-16)15-7-4-3-5-8-15/h3-9,11,16,18,20H,2,10,12-14H2,1H3/t16-,18?/m0/s1
InChIKeyBZNIBHHAUUMHDA-ATNAJCNCSA-N
MW312.41 g/mol
LogP3.60
Rot. Bonds7

About 3-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-2-propoxypyridine

3-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-2-propoxypyridine (PubChem CID 66753085) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-2-propoxypyridine.

Molecular Properties

Compound Name3-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-2-propoxypyridine
PubChem CID66753085
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-2-propoxypyridine
SMILESCCCOc1ncccc1OC(c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C19H24N2O2/c1-2-13-22-19-17(9-6-11-21-19)23-18(16-10-12-20-14-16)15-7-4-3-5-8-15/h3-9,11,16,18,20H,2,10,12-14H2,1H3/t16-,18?/m0/s1
InChIKeyBZNIBHHAUUMHDA-ATNAJCNCSA-N
XLogP3.60
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752141
(3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine
CID 71562371
2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 66752187
3-propoxy-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796587
3,5-dichloro-2-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752614
3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66753028
2-methyl-5-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752347
3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine
CID 57419610
(3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine
CID 66924540
5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 59544002
2-[(2-methoxy-3-pyridinyl)oxy-phenylmethyl]morpholine
CID 68541459
(3R)-3-[(S)-phenyl-(2,3,5-trichlorophenoxy)methyl]pyrrolidine
CID 71562715

Frequently Asked Questions

What is the IUPAC name of 3-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-2-propoxypyridine?
The IUPAC name of 3-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-2-propoxypyridine (CID 66753085) is 3-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-2-propoxypyridine.
What is the SMILES notation for 3-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-2-propoxypyridine?
The canonical SMILES for 3-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-2-propoxypyridine is CCCOc1ncccc1OC(c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of 3-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-2-propoxypyridine?
The InChIKey is BZNIBHHAUUMHDA-ATNAJCNCSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-13-22-19-17(9-6-11-21-19)23-18(16-10-12-20-14-16)15-7-4-3-5-8-15/h3-9,11,16,18,20H,2,10,12-14H2,1H3/t16-,18?/m0/s1.
What are the key properties of 3-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-2-propoxypyridine?
3-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-2-propoxypyridine has a molecular weight of 312.41 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-2-propoxypyridine is sourced from PubChem (CID 66753085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).