2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine

C16H18FNOS — CID 50973645

IUPAC2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine
SMILESFc1cccc(CC2CN(Cc3cccs3)CCO2)c1
InChIInChI=1S/C16H18FNOS/c17-14-4-1-3-13(9-14)10-15-11-18(6-7-19-15)12-16-5-2-8-20-16/h1-5,8-9,15H,6-7,10-12H2
InChIKeyRTOIDCPQZGJJSW-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.33
Rot. Bonds4

About 2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine

2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine (PubChem CID 50973645) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine
PubChem CID50973645
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC Name2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine
SMILESFc1cccc(CC2CN(Cc3cccs3)CCO2)c1
InChIInChI=1S/C16H18FNOS/c17-14-4-1-3-13(9-14)10-15-11-18(6-7-19-15)12-16-5-2-8-20-16/h1-5,8-9,15H,6-7,10-12H2
InChIKeyRTOIDCPQZGJJSW-UHFFFAOYSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluoro-benzyl)-4-[2-(phenyl-thiophen-2-yl-methoxy)-ethyl]-piperidine
CID 9978888
(3S,6S)-6-Benzhydryl-N-(thiophen-2-ylmethyl)tetrahydro-2H-pyran-3-amine
CID 46869266
({1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methyl)methyl{[5-(tetrahydro-2H-pyran-2-yl)-2-thienyl]methyl}amine
CID 45244841
1-[2-Phenyl-2-(thiophen-2-ylmethoxy)ethyl]piperidine
CID 408859
2-(3-Fluorobenzyl)-4-(2-thienylsulfonyl)morpholine
CID 45216431
(3S*,4S*)-4-(4-fluorophenyl)-1-{[5-(3-hydroxy-3-methylbut-1-yn-1-yl)-2-thienyl]methyl}piperidin-3-ol
CID 50960721
1-(3-Phenylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 71993260
1'-[(4-Fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 134817057
thienyl-GBR 13119
CID 3083040
N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 16673176
N-[(2-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 16673180
2-(4-Fluorobenzyl)-4-[(5-methyl-2-thienyl)sulfonyl]morpholine
CID 45232247

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine (CID 50973645) is 2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine is Fc1cccc(CC2CN(Cc3cccs3)CCO2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine?
The InChIKey is RTOIDCPQZGJJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c17-14-4-1-3-13(9-14)10-15-11-18(6-7-19-15)12-16-5-2-8-20-16/h1-5,8-9,15H,6-7,10-12H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine?
2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine has a molecular weight of 291.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine is sourced from PubChem (CID 50973645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).