[2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone

C15H22N2O2 — CID 107223818

IUPAC[2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)c2ccccc2NCC)C1
InChIInChI=1S/C15H22N2O2/c1-3-9-15(19)10-17(11-15)14(18)12-7-5-6-8-13(12)16-4-2/h5-8,16,19H,3-4,9-11H2,1-2H3
InChIKeyUMAUJFUHXSPBGJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.11
Rot. Bonds5

About [2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone

[2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone (PubChem CID 107223818) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
PubChem CID107223818
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)c2ccccc2NCC)C1
InChIInChI=1S/C15H22N2O2/c1-3-9-15(19)10-17(11-15)14(18)12-7-5-6-8-13(12)16-4-2/h5-8,16,19H,3-4,9-11H2,1-2H3
InChIKeyUMAUJFUHXSPBGJ-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 107223814
(2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210754
[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219935
[2-(ethylamino)phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63620069
3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone
CID 114411450
(5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210704
(4-hydroxy-4-propylpiperidin-1-yl)-(2-methylsulfonylphenyl)methanone
CID 126805891
[2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62165925
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-(ethylamino)phenyl]methanone
CID 64575650
(2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 102883842
(4-bromo-2-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 115369585
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The IUPAC name of [2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone (CID 107223818) is [2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone is CCCC1(O)CN(C(=O)c2ccccc2NCC)C1.
What is the InChIKey of [2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The InChIKey is UMAUJFUHXSPBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-9-15(19)10-17(11-15)14(18)12-7-5-6-8-13(12)16-4-2/h5-8,16,19H,3-4,9-11H2,1-2H3.
What are the key properties of [2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone?
[2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone is sourced from PubChem (CID 107223818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).