(2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride

C12H18ClNO — CID 50986664

IUPAC(2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride
SMILESC[C@H]1[C@H](c2ccccc2)OCCN1C.[Cl-].[H+]
InChIInChI=1S/C12H17NO.ClH/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11;/h3-7,10,12H,8-9H2,1-2H3;1H/t10-,12+;/m0./s1
InChIKeyOOQWOQSMHKWCEB-XOZOLZJESA-N
MW227.74 g/mol
LogP-0.81
Rot. Bonds1

About (2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride

(2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride (PubChem CID 50986664) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is (2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride.

Molecular Properties

Compound Name(2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride
PubChem CID50986664
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name(2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride
SMILESC[C@H]1[C@H](c2ccccc2)OCCN1C.[Cl-].[H+]
InChIInChI=1S/C12H17NO.ClH/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11;/h3-7,10,12H,8-9H2,1-2H3;1H/t10-,12+;/m0./s1
InChIKeyOOQWOQSMHKWCEB-XOZOLZJESA-N
XLogP-0.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

butanedioic acid;(2S,3S)-3,4-dimethyl-2-phenylmorpholine
CID 76960510
2,3-dihydroxybutanedioic acid;(2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydrate
CID 173400053
1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone
CID 92843868
1-[(2R,3S)-3-methyl-2-phenylmorpholin-4-yl]-4-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]butane-1,4-dione
CID 40782270
(2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine
CID 11889232
1-(3-methyl-2-phenylmorpholin-4-yl)propan-1-one
CID 110728423
3-methyl-2-phenyl-4-propylsulfonylmorpholine
CID 110728469
2-(dimethylamino)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone
CID 170895902
[(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 124832574
(2R,3R)-1,2-dimethyl-3-phenylpiperidine
CID 97355864
(3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone
CID 110728429
(6S,7R)-4-methyl-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane
CID 118675533

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride?
The IUPAC name of (2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride (CID 50986664) is (2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride.
What is the SMILES notation for (2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride?
The canonical SMILES for (2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride is C[C@H]1[C@H](c2ccccc2)OCCN1C.[Cl-].[H+].
What is the InChIKey of (2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride?
The InChIKey is OOQWOQSMHKWCEB-XOZOLZJESA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11;/h3-7,10,12H,8-9H2,1-2H3;1H/t10-,12+;/m0./s1.
What are the key properties of (2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride?
(2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride has a molecular weight of 227.74 g/mol, XLogP of -0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride is sourced from PubChem (CID 50986664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).