3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine

C17H20N2O2 — CID 56722412

IUPAC3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine
SMILESCOc1ccc(CN2CCCC2)cc1Oc1cccnc1
InChIInChI=1S/C17H20N2O2/c1-20-16-7-6-14(13-19-9-2-3-10-19)11-17(16)21-15-5-4-8-18-12-15/h4-8,11-12H,2-3,9-10,13H2,1H3
InChIKeyZCEGMJZUMNLIFF-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.48
Rot. Bonds5

About 3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine

3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine (PubChem CID 56722412) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine.

Molecular Properties

Compound Name3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine
PubChem CID56722412
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine
SMILESCOc1ccc(CN2CCCC2)cc1Oc1cccnc1
InChIInChI=1S/C17H20N2O2/c1-20-16-7-6-14(13-19-9-2-3-10-19)11-17(16)21-15-5-4-8-18-12-15/h4-8,11-12H,2-3,9-10,13H2,1H3
InChIKeyZCEGMJZUMNLIFF-UHFFFAOYSA-N
XLogP3.48
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-4-(1-pyridin-3-ylethyl)piperazine
CID 56789971
1-[(3,4-dimethoxyphenyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine
CID 95626118
4-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 75514937
6-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]-N,N-dimethylpyrazin-2-amine
CID 56708628
3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine
CID 68851049
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine
CID 126784882
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(pyridin-3-ylmethyl)piperidin-3-amine
CID 45233057
1-[(3-pyridin-3-yloxyphenyl)methyl]piperazine
CID 135385042
2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-methylquinoline
CID 56722322
3-[(2R)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 1353857
[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 46785371

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine?
The IUPAC name of 3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine (CID 56722412) is 3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine.
What is the SMILES notation for 3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine?
The canonical SMILES for 3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine is COc1ccc(CN2CCCC2)cc1Oc1cccnc1.
What is the InChIKey of 3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine?
The InChIKey is ZCEGMJZUMNLIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-20-16-7-6-14(13-19-9-2-3-10-19)11-17(16)21-15-5-4-8-18-12-15/h4-8,11-12H,2-3,9-10,13H2,1H3.
What are the key properties of 3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine?
3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine has a molecular weight of 284.36 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine is sourced from PubChem (CID 56722412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).