4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol

C18H23N3O2 — CID 120963153

IUPAC4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1ccccc1OCc1cccnc1
InChIInChI=1S/C18H23N3O2/c22-17-12-21-11-16(17)10-20-9-15-5-1-2-6-18(15)23-13-14-4-3-7-19-8-14/h1-8,16-17,20-22H,9-13H2
InChIKeyLCZWPLLYWLUSSX-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.33
Rot. Bonds7

About 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol

4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol (PubChem CID 120963153) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
PubChem CID120963153
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1ccccc1OCc1cccnc1
InChIInChI=1S/C18H23N3O2/c22-17-12-21-11-16(17)10-20-9-15-5-1-2-6-18(15)23-13-14-4-3-7-19-8-14/h1-8,16-17,20-22H,9-13H2
InChIKeyLCZWPLLYWLUSSX-UHFFFAOYSA-N
XLogP1.33
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961872
2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol
CID 111421639
1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
CID 47631270
1-(1-methylpiperidin-3-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
CID 119125973
3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol
CID 110929258
1-[(2R)-1-methylpyrrolidin-2-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
CID 124684778
3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol
CID 111422039
4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol
CID 120961741
1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol
CID 119111975
4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 110935707
2-ethyl-2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]butanoic acid
CID 122129096
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol (CID 120963153) is 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol is OC1CNCC1CNCc1ccccc1OCc1cccnc1.
What is the InChIKey of 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is LCZWPLLYWLUSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17-12-21-11-16(17)10-20-9-15-5-1-2-6-18(15)23-13-14-4-3-7-19-8-14/h1-8,16-17,20-22H,9-13H2.
What are the key properties of 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol?
4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 313.40 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120963153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).