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

C13H18N2O2 — CID 107219390

IUPAC[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCC1(O)CN(C(=O)c2ccccc2CCN)C1
InChIInChI=1S/C13H18N2O2/c1-13(17)8-15(9-13)12(16)11-5-3-2-4-10(11)6-7-14/h2-5,17H,6-9,14H2,1H3
InChIKeyBRRMXCWMNRGXNE-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.39
Rot. Bonds3

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

[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone (PubChem CID 107219390) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [2-(2-aminoethyl)phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
PubChem CID107219390
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCC1(O)CN(C(=O)c2ccccc2CCN)C1
InChIInChI=1S/C13H18N2O2/c1-13(17)8-15(9-13)12(16)11-5-3-2-4-10(11)6-7-14/h2-5,17H,6-9,14H2,1H3
InChIKeyBRRMXCWMNRGXNE-UHFFFAOYSA-N
XLogP0.39
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219935
[2-(2-aminoethyl)phenyl]-(4,4-dimethylazepan-1-yl)methanone
CID 65280889
[2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495362
2-[1-[2-(2-aminoethyl)benzoyl]azetidin-3-yl]propanoic acid
CID 116682336
[2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217222
[2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371214
(3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 107219676
1-[2-(2-aminoethyl)phenyl]ethanone;ethane
CID 145089346
[2-(2-aminoethyl)phenyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114409665
(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210518
(3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210554
1-[2-(2-aminoethyl)benzoyl]-3-methylpiperidine-2-carboxylic acid
CID 107068810

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The IUPAC name of [2-(2-aminoethyl)phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone (CID 107219390) is [2-(2-aminoethyl)phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The canonical SMILES for [2-(2-aminoethyl)phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone is CC1(O)CN(C(=O)c2ccccc2CCN)C1.
What is the InChIKey of [2-(2-aminoethyl)phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The InChIKey is BRRMXCWMNRGXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(17)8-15(9-13)12(16)11-5-3-2-4-10(11)6-7-14/h2-5,17H,6-9,14H2,1H3.
What are the key properties of [2-(2-aminoethyl)phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone?
[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 0.39, 3 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-methylazetidin-1-yl)methanone is sourced from PubChem (CID 107219390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).