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

C15H22N2O2 — CID 107219935

IUPAC[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)c2ccccc2CCN)C1
InChIInChI=1S/C15H22N2O2/c1-2-8-15(19)10-17(11-15)14(18)13-6-4-3-5-12(13)7-9-16/h3-6,19H,2,7-11,16H2,1H3
InChIKeyARPAEEJLPPKZGH-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.17
Rot. Bonds5

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

[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone (PubChem CID 107219935) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
PubChem CID107219935
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)c2ccccc2CCN)C1
InChIInChI=1S/C15H22N2O2/c1-2-8-15(19)10-17(11-15)14(18)13-6-4-3-5-12(13)7-9-16/h3-6,19H,2,7-11,16H2,1H3
InChIKeyARPAEEJLPPKZGH-UHFFFAOYSA-N
XLogP1.17
TPSA66.56 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 ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219390
(2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210754
[2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107223818
(3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 107223814
(5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210704
(3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 107219676
[2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495362
[2-(2-aminoethyl)phenyl]-(4,4-dimethylazepan-1-yl)methanone
CID 65280889
2-[1-[2-(2-aminoethyl)benzoyl]azetidin-3-yl]propanoic acid
CID 116682336
[2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371214
[2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217222
1-[2-(2-aminoethyl)phenyl]butan-1-one
CID 116577371

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The IUPAC name of [2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone (CID 107219935) is [2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The canonical SMILES for [2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone is CCCC1(O)CN(C(=O)c2ccccc2CCN)C1.
What is the InChIKey of [2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The InChIKey is ARPAEEJLPPKZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-8-15(19)10-17(11-15)14(18)13-6-4-3-5-12(13)7-9-16/h3-6,19H,2,7-11,16H2,1H3.
What are the key properties of [2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone?
[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone is sourced from PubChem (CID 107219935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).