(3S)-4-benzyl-3-(4-fluorophenyl)morpholine

C17H18FNO — CID 91128502

IUPAC(3S)-4-benzyl-3-(4-fluorophenyl)morpholine
SMILESFc1ccc([C@H]2COCCN2Cc2ccccc2)cc1
InChIInChI=1S/C17H18FNO/c18-16-8-6-15(7-9-16)17-13-20-11-10-19(17)12-14-4-2-1-3-5-14/h1-9,17H,10-13H2/t17-/m1/s1
InChIKeyJROKUIHTHNIPSF-QGZVFWFLSA-N
MW271.34 g/mol
LogP3.40
Rot. Bonds3

About (3S)-4-benzyl-3-(4-fluorophenyl)morpholine

(3S)-4-benzyl-3-(4-fluorophenyl)morpholine (PubChem CID 91128502) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is (3S)-4-benzyl-3-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name(3S)-4-benzyl-3-(4-fluorophenyl)morpholine
PubChem CID91128502
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name(3S)-4-benzyl-3-(4-fluorophenyl)morpholine
SMILESFc1ccc([C@H]2COCCN2Cc2ccccc2)cc1
InChIInChI=1S/C17H18FNO/c18-16-8-6-15(7-9-16)17-13-20-11-10-19(17)12-14-4-2-1-3-5-14/h1-9,17H,10-13H2/t17-/m1/s1
InChIKeyJROKUIHTHNIPSF-QGZVFWFLSA-N
XLogP3.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(3,5-Difluorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338530
4-Benzyl-2-(2-phenylethyl)morpholine
CID 20354789
(6-Benzhydryl-tetrahydro-pyran-3-yl)-(4-fluoro-benzyl)-amine
CID 44287455
1-(1-Phenylcyclohexyl)morpholine hydrochloride
CID 121542
(R)-2-((R)-1-benzylpiperidin-2-yl)-2-phenylethanol
CID 10685307
(R)-1-benzyl-2-((R)-2-methoxy-1-phenylethyl)piperidine
CID 16719672
4-(2-{4-[Bis(4-fluoro-phenyl)-methyl]piperazine-1-yl}-ethyl)-morpholine
CID 44414004
1-Benzyl-4-(4-phenylbutoxymethyl)piperidine;hydrochloride
CID 45262131
1-Benzyl-4-(5-phenylpentoxymethyl)piperidine;hydrochloride
CID 45262192
4-[(4-Fluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737750
4-[[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methyl]morpholine
CID 118714433
3-(Cyclopropylmethoxy)-1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1-azaspiro[3.5]nonane
CID 124044957

Frequently Asked Questions

What is the IUPAC name of (3S)-4-benzyl-3-(4-fluorophenyl)morpholine?
The IUPAC name of (3S)-4-benzyl-3-(4-fluorophenyl)morpholine (CID 91128502) is (3S)-4-benzyl-3-(4-fluorophenyl)morpholine.
What is the SMILES notation for (3S)-4-benzyl-3-(4-fluorophenyl)morpholine?
The canonical SMILES for (3S)-4-benzyl-3-(4-fluorophenyl)morpholine is Fc1ccc([C@H]2COCCN2Cc2ccccc2)cc1.
What is the InChIKey of (3S)-4-benzyl-3-(4-fluorophenyl)morpholine?
The InChIKey is JROKUIHTHNIPSF-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18FNO/c18-16-8-6-15(7-9-16)17-13-20-11-10-19(17)12-14-4-2-1-3-5-14/h1-9,17H,10-13H2/t17-/m1/s1.
What are the key properties of (3S)-4-benzyl-3-(4-fluorophenyl)morpholine?
(3S)-4-benzyl-3-(4-fluorophenyl)morpholine has a molecular weight of 271.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-benzyl-3-(4-fluorophenyl)morpholine is sourced from PubChem (CID 91128502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).