(3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone

C15H22N2O2 — CID 107219676

IUPAC(3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
SMILESCCC1(O)CN(C(=O)c2ccccc2CCNC)C1
InChIInChI=1S/C15H22N2O2/c1-3-15(19)10-17(11-15)14(18)13-7-5-4-6-12(13)8-9-16-2/h4-7,16,19H,3,8-11H2,1-2H3
InChIKeyNUEUJWYGYYOFHG-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.05
Rot. Bonds5

About (3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone

(3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone (PubChem CID 107219676) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone.

Molecular Properties

Compound Name(3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
PubChem CID107219676
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
SMILESCCC1(O)CN(C(=O)c2ccccc2CCNC)C1
InChIInChI=1S/C15H22N2O2/c1-3-15(19)10-17(11-15)14(18)13-7-5-4-6-12(13)8-9-16-2/h4-7,16,19H,3,8-11H2,1-2H3
InChIKeyNUEUJWYGYYOFHG-UHFFFAOYSA-N
XLogP1.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547346
[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219935
[2-[2-(methylamino)ethyl]phenyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313894
(4-cyclopropylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547617
[2-[2-(methylamino)ethyl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 104547371
(3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 102957626
[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219390
2-[2-(methylamino)ethyl]benzamide
CID 69094527
2-azabicyclo[2.2.1]heptan-2-yl-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547762
N,N-diethyl-2-[2-(methylamino)ethyl]benzamide
CID 104547231
(3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 102957473
(3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 107223814

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
The IUPAC name of (3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone (CID 107219676) is (3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone.
What is the SMILES notation for (3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
The canonical SMILES for (3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone is CCC1(O)CN(C(=O)c2ccccc2CCNC)C1.
What is the InChIKey of (3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
The InChIKey is NUEUJWYGYYOFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-15(19)10-17(11-15)14(18)13-7-5-4-6-12(13)8-9-16-2/h4-7,16,19H,3,8-11H2,1-2H3.
What are the key properties of (3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
(3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone has a molecular weight of 262.35 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone is sourced from PubChem (CID 107219676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).