2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine

C17H25NO3 — CID 117470858

IUPAC2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine
SMILESCOc1c(CC2CCCN2)cccc1OC1CCOCC1
InChIInChI=1S/C17H25NO3/c1-19-17-13(12-14-5-3-9-18-14)4-2-6-16(17)21-15-7-10-20-11-8-15/h2,4,6,14-15,18H,3,5,7-12H2,1H3
InChIKeyRWLZIVPWKIGEDM-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.55
Rot. Bonds5

About 2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine

2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine (PubChem CID 117470858) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine
PubChem CID117470858
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine
SMILESCOc1c(CC2CCCN2)cccc1OC1CCOCC1
InChIInChI=1S/C17H25NO3/c1-19-17-13(12-14-5-3-9-18-14)4-2-6-16(17)21-15-7-10-20-11-8-15/h2,4,6,14-15,18H,3,5,7-12H2,1H3
InChIKeyRWLZIVPWKIGEDM-UHFFFAOYSA-N
XLogP2.55
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine
CID 117490817
3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine
CID 117469461
2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
CID 117371410
2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine
CID 117492500
2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
CID 117391311
[2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol
CID 84689080
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]piperidine
CID 117470804
1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
CID 117417898
2-[2-(2,3-dimethoxyphenyl)ethyl]piperidine
CID 43146765
2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine
CID 117455719
2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine
CID 117408287
2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine
CID 117422294

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine?
The IUPAC name of 2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine (CID 117470858) is 2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine?
The canonical SMILES for 2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine is COc1c(CC2CCCN2)cccc1OC1CCOCC1.
What is the InChIKey of 2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine?
The InChIKey is RWLZIVPWKIGEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-19-17-13(12-14-5-3-9-18-14)4-2-6-16(17)21-15-7-10-20-11-8-15/h2,4,6,14-15,18H,3,5,7-12H2,1H3.
What are the key properties of 2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine?
2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine has a molecular weight of 291.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 117470858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).