(2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine

C19H23NO — CID 140974143

IUPAC(2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine
SMILESC[C@H]1OC[C@H](c2ccccc2)N(Cc2ccccc2)[C@H]1C
InChIInChI=1S/C19H23NO/c1-15-16(2)21-14-19(18-11-7-4-8-12-18)20(15)13-17-9-5-3-6-10-17/h3-12,15-16,19H,13-14H2,1-2H3/t15-,16+,19+/m0/s1
InChIKeyAFPGFRJWBCFJLW-FRQCXROJSA-N
MW281.40 g/mol
LogP4.04
Rot. Bonds3

About (2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine

(2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine (PubChem CID 140974143) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine.

Molecular Properties

Compound Name(2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine
PubChem CID140974143
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine
SMILESC[C@H]1OC[C@H](c2ccccc2)N(Cc2ccccc2)[C@H]1C
InChIInChI=1S/C19H23NO/c1-15-16(2)21-14-19(18-11-7-4-8-12-18)20(15)13-17-9-5-3-6-10-17/h3-12,15-16,19H,13-14H2,1-2H3/t15-,16+,19+/m0/s1
InChIKeyAFPGFRJWBCFJLW-FRQCXROJSA-N
XLogP4.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4R)-3-benzyl-4-phenyl-2-(2-phenylethyl)-1,3-oxazolidine
CID 11067883
(2R,4R)-3-benzyl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine
CID 11782223
(2S,3S)-4-benzyl-2,3-dimethylmorpholine
CID 118558682
(5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one
CID 102009380
2-[(2R,4R)-2-methyl-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile
CID 14935545
(2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine
CID 10039279
(1R,2R,4R,6S)-3-benzyl-2,4-dimethyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 124747563
1-(1-benzyl-4-phenylazetidin-2-yl)-N-methylmethanamine
CID 155208326
(2S,3S,4S)-1-benzyl-2-(chloromethyl)-4-methyl-3-phenylazetidine
CID 53344124
(5S)-4-benzyl-5-(2-hydroxyethyl)-2-methylmorpholine-3-carbaldehyde
CID 174783226
(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11086728
(2S,3S,4S,6R)-1-benzyl-2,3,6-trimethylpiperidin-4-amine
CID 95242050

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine?
The IUPAC name of (2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine (CID 140974143) is (2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine.
What is the SMILES notation for (2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine?
The canonical SMILES for (2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine is C[C@H]1OC[C@H](c2ccccc2)N(Cc2ccccc2)[C@H]1C.
What is the InChIKey of (2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine?
The InChIKey is AFPGFRJWBCFJLW-FRQCXROJSA-N. The full InChI is InChI=1S/C19H23NO/c1-15-16(2)21-14-19(18-11-7-4-8-12-18)20(15)13-17-9-5-3-6-10-17/h3-12,15-16,19H,13-14H2,1-2H3/t15-,16+,19+/m0/s1.
What are the key properties of (2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine?
(2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine has a molecular weight of 281.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine is sourced from PubChem (CID 140974143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).