2-(4-phenylmethoxyphenyl)thiomorpholine

C17H19NOS — CID 46233269

IUPAC2-(4-phenylmethoxyphenyl)thiomorpholine
SMILESc1ccc(COc2ccc(C3CNCCS3)cc2)cc1
InChIInChI=1S/C17H19NOS/c1-2-4-14(5-3-1)13-19-16-8-6-15(7-9-16)17-12-18-10-11-20-17/h1-9,17-18H,10-13H2
InChIKeyJTMKALFHDSWYGH-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.64
Rot. Bonds4

About 2-(4-phenylmethoxyphenyl)thiomorpholine

2-(4-phenylmethoxyphenyl)thiomorpholine (PubChem CID 46233269) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)thiomorpholine.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)thiomorpholine
PubChem CID46233269
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-(4-phenylmethoxyphenyl)thiomorpholine
SMILESc1ccc(COc2ccc(C3CNCCS3)cc2)cc1
InChIInChI=1S/C17H19NOS/c1-2-4-14(5-3-1)13-19-16-8-6-15(7-9-16)17-12-18-10-11-20-17/h1-9,17-18H,10-13H2
InChIKeyJTMKALFHDSWYGH-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Benzyloxy-phenyl)-ethylamine
CID 200957
4-(2-(Phenoxymethyl)phenyl)piperidine
CID 45483527
4-(2-(Benzyloxy)phenyl)piperidine
CID 45483529
(R/S)-2-((4-benzylphenoxy)methyl)piperidine
CID 46888070
(R)-2-((4-benzylphenoxy)methyl)piperidine
CID 46888101
4-[(4-Fluoro-phenoxy)-phenyl-methyl]-piperidine
CID 9795842
4-[(3-Fluoro-phenoxy)-phenyl-methyl]-piperidine
CID 9817317
(3-Phenylsulfanyl-propyl)-(2-p-tolyloxy-ethyl)-amine
CID 10638052
(S)-2-[(R)-(2-Ethoxy-phenoxy)-phenyl-methyl]-morpholine
CID 11594827
(2-Phenoxyethyl)(2-phenylethyl)amine
CID 2183053
4-(2-Benzylphenoxy)piperidine
CID 23722970
(+/-)-2-(4''-Butoxyphenyl)thiomorpholin-5-one
CID 46233264

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)thiomorpholine?
The IUPAC name of 2-(4-phenylmethoxyphenyl)thiomorpholine (CID 46233269) is 2-(4-phenylmethoxyphenyl)thiomorpholine.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)thiomorpholine?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)thiomorpholine is c1ccc(COc2ccc(C3CNCCS3)cc2)cc1.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)thiomorpholine?
The InChIKey is JTMKALFHDSWYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-2-4-14(5-3-1)13-19-16-8-6-15(7-9-16)17-12-18-10-11-20-17/h1-9,17-18H,10-13H2.
What are the key properties of 2-(4-phenylmethoxyphenyl)thiomorpholine?
2-(4-phenylmethoxyphenyl)thiomorpholine has a molecular weight of 285.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)thiomorpholine is sourced from PubChem (CID 46233269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).