2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine

C15H21NO2 — CID 117371410

IUPAC2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1cccc(CC2CCCN2)c1OC1CC1
InChIInChI=1S/C15H21NO2/c1-17-14-6-2-4-11(10-12-5-3-9-16-12)15(14)18-13-7-8-13/h2,4,6,12-13,16H,3,5,7-10H2,1H3
InChIKeyYDQCVEAPEHBKHB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.53
Rot. Bonds5

About 2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine

2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine (PubChem CID 117371410) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
PubChem CID117371410
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1cccc(CC2CCCN2)c1OC1CC1
InChIInChI=1S/C15H21NO2/c1-17-14-6-2-4-11(10-12-5-3-9-16-12)15(14)18-13-7-8-13/h2,4,6,12-13,16H,3,5,7-10H2,1H3
InChIKeyYDQCVEAPEHBKHB-UHFFFAOYSA-N
XLogP2.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine
CID 117490817
2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine
CID 117470858
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine
CID 117469461
2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine
CID 117492500
4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
CID 117469472
5-methoxy-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline
CID 178091331
2-[2-(2,3-dimethoxyphenyl)ethyl]piperidine
CID 43146765
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986
2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
CID 117391311
2-[(3-methoxy-2-methylsulfonylphenyl)methyl]piperidine
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3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117296060

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine (CID 117371410) is 2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine is COc1cccc(CC2CCCN2)c1OC1CC1.
What is the InChIKey of 2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine?
The InChIKey is YDQCVEAPEHBKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-17-14-6-2-4-11(10-12-5-3-9-16-12)15(14)18-13-7-8-13/h2,4,6,12-13,16H,3,5,7-10H2,1H3.
What are the key properties of 2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine?
2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine has a molecular weight of 247.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117371410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).