2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]azetidin-3-yl]ethanol

C15H21NO — CID 138045097

IUPAC2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]azetidin-3-yl]ethanol
SMILESC/C(=C\c1ccccc1)CN1CC(CCO)C1
InChIInChI=1S/C15H21NO/c1-13(9-14-5-3-2-4-6-14)10-16-11-15(12-16)7-8-17/h2-6,9,15,17H,7-8,10-12H2,1H3/b13-9+
InChIKeyFPKNERBVUIWMDX-UKTHLTGXSA-N
MW231.34 g/mol
LogP2.40
Rot. Bonds5

About 2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]azetidin-3-yl]ethanol

2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]azetidin-3-yl]ethanol (PubChem CID 138045097) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]azetidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]azetidin-3-yl]ethanol
PubChem CID138045097
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]azetidin-3-yl]ethanol
SMILESC/C(=C\c1ccccc1)CN1CC(CCO)C1
InChIInChI=1S/C15H21NO/c1-13(9-14-5-3-2-4-6-14)10-16-11-15(12-16)7-8-17/h2-6,9,15,17H,7-8,10-12H2,1H3/b13-9+
InChIKeyFPKNERBVUIWMDX-UKTHLTGXSA-N
XLogP2.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,5S)-3-(2-methyl-3-phenylprop-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 154779546
(3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 86781785
(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981090
1-(2-methyl-3-phenylprop-2-enyl)piperidin-3-ol
CID 127265628
1-[(1S,5S)-3-[(E)-2-methyl-3-phenylprop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 98178070
N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]ethyl]methanesulfonamide
CID 56741459
2-[(2R)-4-[(E)-2-methyl-3-phenylprop-2-enyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 98648561
1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
CID 138042151
1-(4-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
CID 5333510
[1-(2-methyl-3-phenylprop-2-enyl)piperidin-2-yl]methanol
CID 2845655
N-[2-[4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholin-2-yl]ethyl]acetamide
CID 56702229
1-(2-methyl-3-phenylprop-2-enyl)-4-(1,2,4-triazol-1-yl)piperidine
CID 91941498

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]azetidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]azetidin-3-yl]ethanol (CID 138045097) is 2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]azetidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]azetidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]azetidin-3-yl]ethanol is C/C(=C\c1ccccc1)CN1CC(CCO)C1.
What is the InChIKey of 2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]azetidin-3-yl]ethanol?
The InChIKey is FPKNERBVUIWMDX-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H21NO/c1-13(9-14-5-3-2-4-6-14)10-16-11-15(12-16)7-8-17/h2-6,9,15,17H,7-8,10-12H2,1H3/b13-9+.
What are the key properties of 2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]azetidin-3-yl]ethanol?
2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]azetidin-3-yl]ethanol has a molecular weight of 231.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]azetidin-3-yl]ethanol is sourced from PubChem (CID 138045097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).