(2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine

C23H31NO — CID 11889232

IUPAC(2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine
SMILESCc1c(C)c(C)c(CN2CCO[C@@H](c3ccccc3)[C@@H]2C)c(C)c1C
InChIInChI=1S/C23H31NO/c1-15-16(2)18(4)22(19(5)17(15)3)14-24-12-13-25-23(20(24)6)21-10-8-7-9-11-21/h7-11,20,23H,12-14H2,1-6H3/t20-,23+/m0/s1
InChIKeyXAWSJSWJLFVTLP-NZQKXSOJSA-N
MW337.51 g/mol
LogP5.19
Rot. Bonds3

About (2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine

(2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine (PubChem CID 11889232) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is (2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine.

Molecular Properties

Compound Name(2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine
PubChem CID11889232
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name(2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine
SMILESCc1c(C)c(C)c(CN2CCO[C@@H](c3ccccc3)[C@@H]2C)c(C)c1C
InChIInChI=1S/C23H31NO/c1-15-16(2)18(4)22(19(5)17(15)3)14-24-12-13-25-23(20(24)6)21-10-8-7-9-11-21/h7-11,20,23H,12-14H2,1-6H3/t20-,23+/m0/s1
InChIKeyXAWSJSWJLFVTLP-NZQKXSOJSA-N
XLogP5.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride
CID 50986664
(2S,3S)-4-benzyl-2,3-dimethylmorpholine
CID 118558682
2,5-dihydroxybenzoic acid;1,5-dimethyl-4-[(3-methyl-2-phenylmorpholin-4-yl)methyl]-2-phenylpyrazol-3-one
CID 24833826
1-[(2R,3S)-3-methyl-2-phenylmorpholin-4-yl]-4-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]butane-1,4-dione
CID 40782270
4-[3,3-di(thiophen-3-yl)prop-2-enyl]-3-methyl-2-phenylmorpholine
CID 110182414
4-benzyl-3-methylmorpholin-2-amine
CID 154296445
1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone
CID 92843868
butanedioic acid;(2S,3S)-3,4-dimethyl-2-phenylmorpholine
CID 76960510
1-(3-methyl-2-phenylmorpholin-4-yl)propan-1-one
CID 110728423
2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate
CID 20395
3-methyl-2-phenyl-4-propylsulfonylmorpholine
CID 110728469
3-methyl-4-[(4-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110728479

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine?
The IUPAC name of (2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine (CID 11889232) is (2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine.
What is the SMILES notation for (2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine?
The canonical SMILES for (2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine is Cc1c(C)c(C)c(CN2CCO[C@@H](c3ccccc3)[C@@H]2C)c(C)c1C.
What is the InChIKey of (2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine?
The InChIKey is XAWSJSWJLFVTLP-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H31NO/c1-15-16(2)18(4)22(19(5)17(15)3)14-24-12-13-25-23(20(24)6)21-10-8-7-9-11-21/h7-11,20,23H,12-14H2,1-6H3/t20-,23+/m0/s1.
What are the key properties of (2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine?
(2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine has a molecular weight of 337.51 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine is sourced from PubChem (CID 11889232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).