(2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine

C18H20FNO — CID 59896106

IUPAC(2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine
SMILESC[C@@H]1OCCN(Cc2ccccc2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-14-18(16-7-9-17(19)10-8-16)20(11-12-21-14)13-15-5-3-2-4-6-15/h2-10,14,18H,11-13H2,1H3/t14-,18+/m0/s1
InChIKeyOAECBDWULFWZAO-KBXCAEBGSA-N
MW285.36 g/mol
LogP3.79
Rot. Bonds3

About (2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine

(2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine (PubChem CID 59896106) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is (2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine.

Molecular Properties

Compound Name(2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine
PubChem CID59896106
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name(2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine
SMILESC[C@@H]1OCCN(Cc2ccccc2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-14-18(16-7-9-17(19)10-8-16)20(11-12-21-14)13-15-5-3-2-4-6-15/h2-10,14,18H,11-13H2,1H3/t14-,18+/m0/s1
InChIKeyOAECBDWULFWZAO-KBXCAEBGSA-N
XLogP3.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine?
The IUPAC name of (2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine (CID 59896106) is (2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine.
What is the SMILES notation for (2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine?
The canonical SMILES for (2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine is C[C@@H]1OCCN(Cc2ccccc2)[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine?
The InChIKey is OAECBDWULFWZAO-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H20FNO/c1-14-18(16-7-9-17(19)10-8-16)20(11-12-21-14)13-15-5-3-2-4-6-15/h2-10,14,18H,11-13H2,1H3/t14-,18+/m0/s1.
What are the key properties of (2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine?
(2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine has a molecular weight of 285.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine is sourced from PubChem (CID 59896106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).