(2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol

C13H19NO — CID 107863697

IUPAC(2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol
SMILESCC1CN([C@H](CO)Cc2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-11-8-14(9-11)13(10-15)7-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t13-/m0/s1
InChIKeyZXZWNEVPQHVNDJ-ZDUSSCGKSA-N
MW205.30 g/mol
LogP1.54
Rot. Bonds4

About (2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol

(2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol (PubChem CID 107863697) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol
PubChem CID107863697
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol
SMILESCC1CN([C@H](CO)Cc2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-11-8-14(9-11)13(10-15)7-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t13-/m0/s1
InChIKeyZXZWNEVPQHVNDJ-ZDUSSCGKSA-N
XLogP1.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol
CID 107863705
2-(1,3-dihydroisoindol-2-yl)-3-phenylpropan-1-ol
CID 72965520
(2R)-2-morpholin-4-yl-3-phenylpropan-1-ol
CID 107861547
2-(3-methylazetidin-1-yl)-4-phenylbutanoic acid
CID 114920814
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
3,7-dimethyl-1-(1-phenylpropan-2-yl)-1,5-diazocane
CID 55151237
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol (CID 107863697) is (2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol is CC1CN([C@H](CO)Cc2ccccc2)C1.
What is the InChIKey of (2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol?
The InChIKey is ZXZWNEVPQHVNDJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-8-14(9-11)13(10-15)7-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol?
(2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol is sourced from PubChem (CID 107863697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).