(2S,3R)-1-benzhydryl-2-methylazetidin-3-ol

C17H19NO — CID 10243988

IUPAC(2S,3R)-1-benzhydryl-2-methylazetidin-3-ol
SMILESC[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-13-16(19)12-18(13)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16-17,19H,12H2,1H3/t13-,16+/m0/s1
InChIKeyRVJIUWJMJDLQIP-XJKSGUPXSA-N
MW253.35 g/mol
LogP2.84
Rot. Bonds3

About (2S,3R)-1-benzhydryl-2-methylazetidin-3-ol

(2S,3R)-1-benzhydryl-2-methylazetidin-3-ol (PubChem CID 10243988) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (2S,3R)-1-benzhydryl-2-methylazetidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-1-benzhydryl-2-methylazetidin-3-ol
PubChem CID10243988
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(2S,3R)-1-benzhydryl-2-methylazetidin-3-ol
SMILESC[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-13-16(19)12-18(13)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16-17,19H,12H2,1H3/t13-,16+/m0/s1
InChIKeyRVJIUWJMJDLQIP-XJKSGUPXSA-N
XLogP2.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-benzhydryl-2-methylazetidin-3-ol
CID 135395570
(2S,3R)-1-benzhydryl-2-methylazetidin-3-ol;oxalic acid
CID 67885458
1-benzhydrylaziridin-2-ol
CID 22253575
(3S)-1-benzhydryl-3-methoxy-2-methylazetidine
CID 71241122
1-benzhydryl-2-methyl-3-(methylsulfonylmethyl)azetidine
CID 156538452
(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359
(2R)-1-benzhydryl-2-methylazetidin-3-one
CID 92860345
(2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid
CID 141124227
(2R,3S)-1-benzhydryl-2,3-dimethylazetidin-3-amine
CID 10445650
3-[(R)-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenol
CID 56974492
(1R)-2-benzhydryl-2,5-diazabicyclo[2.2.0]hexane
CID 122467029
(2R)-4-benzhydryl-1,2-di(propan-2-yl)piperazine
CID 176877498

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-benzhydryl-2-methylazetidin-3-ol?
The IUPAC name of (2S,3R)-1-benzhydryl-2-methylazetidin-3-ol (CID 10243988) is (2S,3R)-1-benzhydryl-2-methylazetidin-3-ol.
What is the SMILES notation for (2S,3R)-1-benzhydryl-2-methylazetidin-3-ol?
The canonical SMILES for (2S,3R)-1-benzhydryl-2-methylazetidin-3-ol is C[C@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R)-1-benzhydryl-2-methylazetidin-3-ol?
The InChIKey is RVJIUWJMJDLQIP-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-16(19)12-18(13)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16-17,19H,12H2,1H3/t13-,16+/m0/s1.
What are the key properties of (2S,3R)-1-benzhydryl-2-methylazetidin-3-ol?
(2S,3R)-1-benzhydryl-2-methylazetidin-3-ol has a molecular weight of 253.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-benzhydryl-2-methylazetidin-3-ol is sourced from PubChem (CID 10243988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).