(2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol

C15H23NO — CID 107863705

IUPAC(2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol
SMILESCC(C)C1CN([C@H](CO)Cc2ccccc2)C1
InChIInChI=1S/C15H23NO/c1-12(2)14-9-16(10-14)15(11-17)8-13-6-4-3-5-7-13/h3-7,12,14-15,17H,8-11H2,1-2H3/t15-/m0/s1
InChIKeySMKIGSKILCGHJT-HNNXBMFYSA-N
MW233.36 g/mol
LogP2.18
Rot. Bonds5

About (2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol

(2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol (PubChem CID 107863705) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol
PubChem CID107863705
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol
SMILESCC(C)C1CN([C@H](CO)Cc2ccccc2)C1
InChIInChI=1S/C15H23NO/c1-12(2)14-9-16(10-14)15(11-17)8-13-6-4-3-5-7-13/h3-7,12,14-15,17H,8-11H2,1-2H3/t15-/m0/s1
InChIKeySMKIGSKILCGHJT-HNNXBMFYSA-N
XLogP2.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol
CID 107863697
2-(1,3-dihydroisoindol-2-yl)-3-phenylpropan-1-ol
CID 72965520
(2R)-2-morpholin-4-yl-3-phenylpropan-1-ol
CID 107861547
3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 114010352
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione
CID 107861517
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]azepane-2,7-dione
CID 107861522
4-methyl-2-(3-phenylazetidin-1-yl)pentan-1-ol
CID 104549262
4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione
CID 104570912
1-(1-hydroxy-3-phenylpropan-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168707836
3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]imidazolidine-2,4-dione
CID 107861540
(2R)-2-(2-methylpyrrol-1-yl)-3-phenylpropan-1-ol
CID 11435866
4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one
CID 168503437

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol?
The IUPAC name of (2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol (CID 107863705) is (2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol.
What is the SMILES notation for (2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol?
The canonical SMILES for (2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol is CC(C)C1CN([C@H](CO)Cc2ccccc2)C1.
What is the InChIKey of (2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol?
The InChIKey is SMKIGSKILCGHJT-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)14-9-16(10-14)15(11-17)8-13-6-4-3-5-7-13/h3-7,12,14-15,17H,8-11H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol?
(2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol is sourced from PubChem (CID 107863705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).