2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol

C18H21ClN2O2 — CID 110899734

IUPAC2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol
SMILESOCCN(Cc1cc(Cl)ccc1OCc1cccnc1)C1CC1
InChIInChI=1S/C18H21ClN2O2/c19-16-3-6-18(23-13-14-2-1-7-20-11-14)15(10-16)12-21(8-9-22)17-4-5-17/h1-3,6-7,10-11,17,22H,4-5,8-9,12-13H2
InChIKeyZHZXFISRXZUCHZ-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.27
Rot. Bonds8

About 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol

2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol (PubChem CID 110899734) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol
PubChem CID110899734
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol
SMILESOCCN(Cc1cc(Cl)ccc1OCc1cccnc1)C1CC1
InChIInChI=1S/C18H21ClN2O2/c19-16-3-6-18(23-13-14-2-1-7-20-11-14)15(10-16)12-21(8-9-22)17-4-5-17/h1-3,6-7,10-11,17,22H,4-5,8-9,12-13H2
InChIKeyZHZXFISRXZUCHZ-UHFFFAOYSA-N
XLogP3.27
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol with MolForge

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Related Compounds

3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 39869127
(3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol
CID 94528472
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 60523516
3-[[4-chloro-2-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]methyl]pyridine
CID 86879280
4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 56795318
3-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-1-hydroxypiperidin-2-one
CID 155937771
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 43275372
4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961872
2-[(4-chloro-2-pyridinyl)methyl-cyclopropylamino]ethanol
CID 79255170
3-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 121427496
N-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylsulfanyl]phenyl]acetamide
CID 55767821
2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole
CID 60523061

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol?
The IUPAC name of 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol (CID 110899734) is 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol?
The canonical SMILES for 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol is OCCN(Cc1cc(Cl)ccc1OCc1cccnc1)C1CC1.
What is the InChIKey of 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol?
The InChIKey is ZHZXFISRXZUCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c19-16-3-6-18(23-13-14-2-1-7-20-11-14)15(10-16)12-21(8-9-22)17-4-5-17/h1-3,6-7,10-11,17,22H,4-5,8-9,12-13H2.
What are the key properties of 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol?
2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol has a molecular weight of 332.83 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol is sourced from PubChem (CID 110899734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).