(2R)-4-benzyl-2-[2-(5-fluoro-2-methoxyphenyl)-1-phenylethyl]morpholine

C26H28FNO2 — CID 70335932

IUPAC(2R)-4-benzyl-2-[2-(5-fluoro-2-methoxyphenyl)-1-phenylethyl]morpholine
SMILESCOc1ccc(F)cc1CC(c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C26H28FNO2/c1-29-25-13-12-23(27)16-22(25)17-24(21-10-6-3-7-11-21)26-19-28(14-15-30-26)18-20-8-4-2-5-9-20/h2-13,16,24,26H,14-15,17-19H2,1H3/t24?,26-/m0/s1
InChIKeyAXQVFLPOKWOGTR-JKGBFCRXSA-N
MW405.51 g/mol
LogP5.06
Rot. Bonds7

About (2R)-4-benzyl-2-[2-(5-fluoro-2-methoxyphenyl)-1-phenylethyl]morpholine

(2R)-4-benzyl-2-[2-(5-fluoro-2-methoxyphenyl)-1-phenylethyl]morpholine (PubChem CID 70335932) has the molecular formula C26H28FNO2 and a molecular weight of 405.51 g/mol. Its IUPAC name is (2R)-4-benzyl-2-[2-(5-fluoro-2-methoxyphenyl)-1-phenylethyl]morpholine.

Molecular Properties

Compound Name(2R)-4-benzyl-2-[2-(5-fluoro-2-methoxyphenyl)-1-phenylethyl]morpholine
PubChem CID70335932
Molecular FormulaC26H28FNO2
Molecular Weight405.51 g/mol
Exact Mass405.21
IUPAC Name(2R)-4-benzyl-2-[2-(5-fluoro-2-methoxyphenyl)-1-phenylethyl]morpholine
SMILESCOc1ccc(F)cc1CC(c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C26H28FNO2/c1-29-25-13-12-23(27)16-22(25)17-24(21-10-6-3-7-11-21)26-19-28(14-15-30-26)18-20-8-4-2-5-9-20/h2-13,16,24,26H,14-15,17-19H2,1H3/t24?,26-/m0/s1
InChIKeyAXQVFLPOKWOGTR-JKGBFCRXSA-N
XLogP5.06
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.51
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol
CID 59789302
(2R)-4-benzyl-2-[1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethyl]morpholine
CID 70333735
[(2R)-4-benzylmorpholin-2-yl]-(4-fluorophenyl)methanol
CID 69431465
(2S)-4-benzyl-2-[(2-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine
CID 69130802
(R)-[(2R)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997974
CID 89203711
CID 89203711
(R)-[(2S)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997973
(2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine
CID 68597691
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
1-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491103
1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol
CID 143010879
4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 51074764

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzyl-2-[2-(5-fluoro-2-methoxyphenyl)-1-phenylethyl]morpholine?
The IUPAC name of (2R)-4-benzyl-2-[2-(5-fluoro-2-methoxyphenyl)-1-phenylethyl]morpholine (CID 70335932) is (2R)-4-benzyl-2-[2-(5-fluoro-2-methoxyphenyl)-1-phenylethyl]morpholine.
What is the SMILES notation for (2R)-4-benzyl-2-[2-(5-fluoro-2-methoxyphenyl)-1-phenylethyl]morpholine?
The canonical SMILES for (2R)-4-benzyl-2-[2-(5-fluoro-2-methoxyphenyl)-1-phenylethyl]morpholine is COc1ccc(F)cc1CC(c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of (2R)-4-benzyl-2-[2-(5-fluoro-2-methoxyphenyl)-1-phenylethyl]morpholine?
The InChIKey is AXQVFLPOKWOGTR-JKGBFCRXSA-N. The full InChI is InChI=1S/C26H28FNO2/c1-29-25-13-12-23(27)16-22(25)17-24(21-10-6-3-7-11-21)26-19-28(14-15-30-26)18-20-8-4-2-5-9-20/h2-13,16,24,26H,14-15,17-19H2,1H3/t24?,26-/m0/s1.
What are the key properties of (2R)-4-benzyl-2-[2-(5-fluoro-2-methoxyphenyl)-1-phenylethyl]morpholine?
(2R)-4-benzyl-2-[2-(5-fluoro-2-methoxyphenyl)-1-phenylethyl]morpholine has a molecular weight of 405.51 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzyl-2-[2-(5-fluoro-2-methoxyphenyl)-1-phenylethyl]morpholine is sourced from PubChem (CID 70335932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).