2-(1-benzhydrylazetidin-3-yl)oxyethanol

C18H21NO2 — CID 142434667

IUPAC2-(1-benzhydrylazetidin-3-yl)oxyethanol
SMILESOCCOC1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H21NO2/c20-11-12-21-17-13-19(14-17)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18,20H,11-14H2
InChIKeyIEUGQOCUPWKTIT-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.47
Rot. Bonds6

About 2-(1-benzhydrylazetidin-3-yl)oxyethanol

2-(1-benzhydrylazetidin-3-yl)oxyethanol (PubChem CID 142434667) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(1-benzhydrylazetidin-3-yl)oxyethanol.

Molecular Properties

Compound Name2-(1-benzhydrylazetidin-3-yl)oxyethanol
PubChem CID142434667
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(1-benzhydrylazetidin-3-yl)oxyethanol
SMILESOCCOC1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H21NO2/c20-11-12-21-17-13-19(14-17)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18,20H,11-14H2
InChIKeyIEUGQOCUPWKTIT-UHFFFAOYSA-N
XLogP2.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzhydryl-3-but-2-enoxyazetidine
CID 67154585
(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359
(1-benzhydrylazetidin-3-yl) N-(2-methylpropyl)carbamate
CID 90844894
1-benzhydryl-3-phenylmethoxyazetidine;iodomethane;3-phenylmethoxyazetidine
CID 161361282
1-benzhydryl-3-(chloromethyl)azetidine
CID 15015453
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropanenitrile
CID 82696688
1-benzhydrylazetidin-3-ol;1-benzhydryl-3-(1-benzothiophen-2-ylmethoxy)azetidine;2-(bromomethyl)-1-benzothiophene
CID 160647288
1-benzhydryl-3-(oxolan-3-yloxy)azetidine
CID 139563500
ethyl 1-benzhydrylazetidine-3-carboxylate
CID 3300764
[1-amino-3-(1-benzhydrylazetidin-3-yl)oxy-3-oxopropylidene]-methylazanium
CID 163486748
2-anilino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 82695740
1-benzhydryl-3-cyclohexa-1,5-dien-1-yloxyazetidine
CID 118370203

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzhydrylazetidin-3-yl)oxyethanol?
The IUPAC name of 2-(1-benzhydrylazetidin-3-yl)oxyethanol (CID 142434667) is 2-(1-benzhydrylazetidin-3-yl)oxyethanol.
What is the SMILES notation for 2-(1-benzhydrylazetidin-3-yl)oxyethanol?
The canonical SMILES for 2-(1-benzhydrylazetidin-3-yl)oxyethanol is OCCOC1CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-(1-benzhydrylazetidin-3-yl)oxyethanol?
The InChIKey is IEUGQOCUPWKTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-11-12-21-17-13-19(14-17)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18,20H,11-14H2.
What are the key properties of 2-(1-benzhydrylazetidin-3-yl)oxyethanol?
2-(1-benzhydrylazetidin-3-yl)oxyethanol has a molecular weight of 283.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzhydrylazetidin-3-yl)oxyethanol is sourced from PubChem (CID 142434667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).