3-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-2-methylpyridine

C17H19ClN2O — CID 126774849

IUPAC3-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-2-methylpyridine
SMILESCc1ncccc1CN1CCC(Oc2ccccc2Cl)C1
InChIInChI=1S/C17H19ClN2O/c1-13-14(5-4-9-19-13)11-20-10-8-15(12-20)21-17-7-3-2-6-16(17)18/h2-7,9,15H,8,10-12H2,1H3
InChIKeyVOQCOLOPLJRQPL-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.70
Rot. Bonds4

About 3-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-2-methylpyridine

3-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-2-methylpyridine (PubChem CID 126774849) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-2-methylpyridine.

Molecular Properties

Compound Name3-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-2-methylpyridine
PubChem CID126774849
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-2-methylpyridine
SMILESCc1ncccc1CN1CCC(Oc2ccccc2Cl)C1
InChIInChI=1S/C17H19ClN2O/c1-13-14(5-4-9-19-13)11-20-10-8-15(12-20)21-17-7-3-2-6-16(17)18/h2-7,9,15H,8,10-12H2,1H3
InChIKeyVOQCOLOPLJRQPL-UHFFFAOYSA-N
XLogP3.70
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 124516746
4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole
CID 167942848
4-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine
CID 167766105
2-methyl-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130158747
4-(2-chlorophenoxy)-1-(1H-imidazol-2-ylmethyl)piperidine
CID 56902522
2-methyl-4-[[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 122154194
2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine
CID 115688607
5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine
CID 56910012
6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995148
1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 71302088
6-chloro-3-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2-methylpyridine
CID 170037706
2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol
CID 103542192

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-2-methylpyridine?
The IUPAC name of 3-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-2-methylpyridine (CID 126774849) is 3-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-2-methylpyridine.
What is the SMILES notation for 3-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-2-methylpyridine?
The canonical SMILES for 3-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-2-methylpyridine is Cc1ncccc1CN1CCC(Oc2ccccc2Cl)C1.
What is the InChIKey of 3-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-2-methylpyridine?
The InChIKey is VOQCOLOPLJRQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-13-14(5-4-9-19-13)11-20-10-8-15(12-20)21-17-7-3-2-6-16(17)18/h2-7,9,15H,8,10-12H2,1H3.
What are the key properties of 3-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-2-methylpyridine?
3-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-2-methylpyridine has a molecular weight of 302.81 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-2-methylpyridine is sourced from PubChem (CID 126774849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).