4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine

C13H18ClNOS — CID 91405859

IUPAC4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine
SMILESCCSc1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C13H18ClNOS/c1-2-17-12-4-3-11(13(14)9-12)10-15-5-7-16-8-6-15/h3-4,9H,2,5-8,10H2,1H3
InChIKeyFLAQBEQESKUWKT-UHFFFAOYSA-N
MW271.81 g/mol
LogP3.28
Rot. Bonds4

About 4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine

4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine (PubChem CID 91405859) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is 4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine
PubChem CID91405859
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC Name4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine
SMILESCCSc1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C13H18ClNOS/c1-2-17-12-4-3-11(13(14)9-12)10-15-5-7-16-8-6-15/h3-4,9H,2,5-8,10H2,1H3
InChIKeyFLAQBEQESKUWKT-UHFFFAOYSA-N
XLogP3.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane
CID 143579646
4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine
CID 144686812
1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine
CID 117450919
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone
CID 117425550
4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine
CID 110664361
3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 117481323
N-[(2,4-dichlorophenyl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 43675759
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide
CID 84600438
4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride
CID 660603

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine?
The IUPAC name of 4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine (CID 91405859) is 4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine.
What is the SMILES notation for 4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine?
The canonical SMILES for 4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine is CCSc1ccc(CN2CCOCC2)c(Cl)c1.
What is the InChIKey of 4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine?
The InChIKey is FLAQBEQESKUWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS/c1-2-17-12-4-3-11(13(14)9-12)10-15-5-7-16-8-6-15/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of 4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine?
4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine has a molecular weight of 271.81 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine is sourced from PubChem (CID 91405859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).