2-[cyclopropyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]ethanol

C18H22N2O2 — CID 110908638

IUPAC2-[cyclopropyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]ethanol
SMILESOCCN(Cc1ccc(OCc2ccccn2)cc1)C1CC1
InChIInChI=1S/C18H22N2O2/c21-12-11-20(17-6-7-17)13-15-4-8-18(9-5-15)22-14-16-3-1-2-10-19-16/h1-5,8-10,17,21H,6-7,11-14H2
InChIKeyQLTMWGPFMSBLIS-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.62
Rot. Bonds8

About 2-[cyclopropyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]ethanol

2-[cyclopropyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]ethanol (PubChem CID 110908638) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[cyclopropyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]ethanol
PubChem CID110908638
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[cyclopropyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]ethanol
SMILESOCCN(Cc1ccc(OCc2ccccn2)cc1)C1CC1
InChIInChI=1S/C18H22N2O2/c21-12-11-20(17-6-7-17)13-15-4-8-18(9-5-15)22-14-16-3-1-2-10-19-16/h1-5,8-10,17,21H,6-7,11-14H2
InChIKeyQLTMWGPFMSBLIS-UHFFFAOYSA-N
XLogP2.62
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline
CID 60892235
[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 110908637
4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]-N-methylbenzamide
CID 47022569
2-[cyclopentyl-[(4-methoxyphenyl)methyl]amino]ethanol
CID 62015643
4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102809822
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
[4-[(2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]methanol
CID 58095659
2-[cyclopentyl(pyridin-4-ylmethyl)amino]ethanol
CID 62014276
3-[4-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 54994778
N-benzyl-N-(pyridin-2-ylmethyl)cyclohexanamine
CID 71881409
2-[cyclopropyl-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]amino]ethanol
CID 60510275
N'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 120871869

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]ethanol (CID 110908638) is 2-[cyclopropyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]ethanol is OCCN(Cc1ccc(OCc2ccccn2)cc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]ethanol?
The InChIKey is QLTMWGPFMSBLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-12-11-20(17-6-7-17)13-15-4-8-18(9-5-15)22-14-16-3-1-2-10-19-16/h1-5,8-10,17,21H,6-7,11-14H2.
What are the key properties of 2-[cyclopropyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]ethanol?
2-[cyclopropyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]ethanol has a molecular weight of 298.39 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]ethanol is sourced from PubChem (CID 110908638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).