ethanol;3-(1-phenylethyl)azetidine

C13H21NO — CID 19888360

IUPACethanol;3-(1-phenylethyl)azetidine
SMILESCC(c1ccccc1)C1CNC1.CCO
InChIInChI=1S/C11H15N.C2H6O/c1-9(11-7-12-8-11)10-5-3-2-4-6-10;1-2-3/h2-6,9,11-12H,7-8H2,1H3;3H,2H2,1H3
InChIKeyQROCPHUXDNPOIA-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.01
Rot. Bonds2

About ethanol;3-(1-phenylethyl)azetidine

ethanol;3-(1-phenylethyl)azetidine (PubChem CID 19888360) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is ethanol;3-(1-phenylethyl)azetidine.

Molecular Properties

Compound Nameethanol;3-(1-phenylethyl)azetidine
PubChem CID19888360
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Nameethanol;3-(1-phenylethyl)azetidine
SMILESCC(c1ccccc1)C1CNC1.CCO
InChIInChI=1S/C11H15N.C2H6O/c1-9(11-7-12-8-11)10-5-3-2-4-6-10;1-2-3/h2-6,9,11-12H,7-8H2,1H3;3H,2H2,1H3
InChIKeyQROCPHUXDNPOIA-UHFFFAOYSA-N
XLogP2.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(R)-ethoxy(phenyl)methyl]azetidine
CID 71516188
1-(4-ethylcyclohexyl)ethylbenzene
CID 154060527
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
1-cyclobutylethylbenzene
CID 22024745
N-[2-(azetidin-3-yl)propyl]-N-ethylaniline
CID 116679280
2-benzhydryl-6-ethylmorpholine
CID 107292987
3-(1-phenoxyethyl)azetidine
CID 105437140
2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 116675630
4-benzhydrylpiperidine;hexan-1-ol
CID 174445924
methyl 2-[2-(azetidin-3-yl)propanoylamino]-2-phenylacetate
CID 116677618
3-(1-phenylethyl)azetidine-1-carbaldehyde
CID 175161452
3-(1-phenylethyl)oxolane
CID 150323599

Frequently Asked Questions

What is the IUPAC name of ethanol;3-(1-phenylethyl)azetidine?
The IUPAC name of ethanol;3-(1-phenylethyl)azetidine (CID 19888360) is ethanol;3-(1-phenylethyl)azetidine.
What is the SMILES notation for ethanol;3-(1-phenylethyl)azetidine?
The canonical SMILES for ethanol;3-(1-phenylethyl)azetidine is CC(c1ccccc1)C1CNC1.CCO.
What is the InChIKey of ethanol;3-(1-phenylethyl)azetidine?
The InChIKey is QROCPHUXDNPOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2H6O/c1-9(11-7-12-8-11)10-5-3-2-4-6-10;1-2-3/h2-6,9,11-12H,7-8H2,1H3;3H,2H2,1H3.
What are the key properties of ethanol;3-(1-phenylethyl)azetidine?
ethanol;3-(1-phenylethyl)azetidine has a molecular weight of 207.32 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;3-(1-phenylethyl)azetidine is sourced from PubChem (CID 19888360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).