[1-methyl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]cyclopentyl]methanol

C20H26N2O2 — CID 111468974

IUPAC[1-methyl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]cyclopentyl]methanol
SMILESCC1(CO)CCCC1NCc1ccccc1OCc1cccnc1
InChIInChI=1S/C20H26N2O2/c1-20(15-23)10-4-9-19(20)22-13-17-7-2-3-8-18(17)24-14-16-6-5-11-21-12-16/h2-3,5-8,11-12,19,22-23H,4,9-10,13-15H2,1H3
InChIKeyNIVXOWUDSAZSBS-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.30
Rot. Bonds7

About [1-methyl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]cyclopentyl]methanol

[1-methyl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]cyclopentyl]methanol (PubChem CID 111468974) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is [1-methyl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-methyl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]cyclopentyl]methanol
PubChem CID111468974
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name[1-methyl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]cyclopentyl]methanol
SMILESCC1(CO)CCCC1NCc1ccccc1OCc1cccnc1
InChIInChI=1S/C20H26N2O2/c1-20(15-23)10-4-9-19(20)22-13-17-7-2-3-8-18(17)24-14-16-6-5-11-21-12-16/h2-3,5-8,11-12,19,22-23H,4,9-10,13-15H2,1H3
InChIKeyNIVXOWUDSAZSBS-UHFFFAOYSA-N
XLogP3.30
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-methyl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]cyclopentyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]cyclopentyl]methanol?
The IUPAC name of [1-methyl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]cyclopentyl]methanol (CID 111468974) is [1-methyl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-methyl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-methyl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]cyclopentyl]methanol is CC1(CO)CCCC1NCc1ccccc1OCc1cccnc1.
What is the InChIKey of [1-methyl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]cyclopentyl]methanol?
The InChIKey is NIVXOWUDSAZSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-20(15-23)10-4-9-19(20)22-13-17-7-2-3-8-18(17)24-14-16-6-5-11-21-12-16/h2-3,5-8,11-12,19,22-23H,4,9-10,13-15H2,1H3.
What are the key properties of [1-methyl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]cyclopentyl]methanol?
[1-methyl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]cyclopentyl]methanol has a molecular weight of 326.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]cyclopentyl]methanol is sourced from PubChem (CID 111468974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).