1-[3-[2-(2-methoxyethoxy)ethylsulfanyl]phenyl]-N-methylethanamine

C14H23NO2S — CID 64663152

IUPAC1-[3-[2-(2-methoxyethoxy)ethylsulfanyl]phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(SCCOCCOC)c1
InChIInChI=1S/C14H23NO2S/c1-12(15-2)13-5-4-6-14(11-13)18-10-9-17-8-7-16-3/h4-6,11-12,15H,7-10H2,1-3H3
InChIKeyBXIYUNOYMWDZSG-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.72
Rot. Bonds9

About 1-[3-[2-(2-methoxyethoxy)ethylsulfanyl]phenyl]-N-methylethanamine

1-[3-[2-(2-methoxyethoxy)ethylsulfanyl]phenyl]-N-methylethanamine (PubChem CID 64663152) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-[3-[2-(2-methoxyethoxy)ethylsulfanyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-[2-(2-methoxyethoxy)ethylsulfanyl]phenyl]-N-methylethanamine
PubChem CID64663152
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-[3-[2-(2-methoxyethoxy)ethylsulfanyl]phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(SCCOCCOC)c1
InChIInChI=1S/C14H23NO2S/c1-12(15-2)13-5-4-6-14(11-13)18-10-9-17-8-7-16-3/h4-6,11-12,15H,7-10H2,1-3H3
InChIKeyBXIYUNOYMWDZSG-UHFFFAOYSA-N
XLogP2.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[2-(3-methoxypropoxy)ethylsulfanyl]phenyl]-N-methylethanamine
CID 103184258
N-methyl-1-[3-(2-propoxyethylsulfanyl)phenyl]ethanamine
CID 106458178
1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
CID 103402998
1-[3-(3,3-dimethylbutylsulfanyl)phenyl]-N-methylethanamine
CID 64665486
N-methyl-1-(3-pentylsulfanylphenyl)ethanamine
CID 64663527
4-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-1-ol
CID 64661544
N-methyl-1-(3-nonylsulfanylphenyl)ethanamine
CID 64664208
methyl 2,2-dimethyl-3-[3-[1-(methylamino)ethyl]phenyl]sulfanylpropanoate
CID 79631485
N-[1-[3-(2-butoxyethylsulfanyl)phenyl]ethyl]propan-1-amine
CID 64663818
1-(1-methoxypropan-2-yloxy)-3-[3-[1-(methylamino)ethyl]phenyl]sulfanylpropan-2-ol
CID 106993054
N-[1-[3-[2-(3-methylbutoxy)ethylsulfanyl]phenyl]ethyl]propan-1-amine
CID 64664028
N-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine
CID 64661334

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-methoxyethoxy)ethylsulfanyl]phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-[2-(2-methoxyethoxy)ethylsulfanyl]phenyl]-N-methylethanamine (CID 64663152) is 1-[3-[2-(2-methoxyethoxy)ethylsulfanyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-[2-(2-methoxyethoxy)ethylsulfanyl]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-[2-(2-methoxyethoxy)ethylsulfanyl]phenyl]-N-methylethanamine is CNC(C)c1cccc(SCCOCCOC)c1.
What is the InChIKey of 1-[3-[2-(2-methoxyethoxy)ethylsulfanyl]phenyl]-N-methylethanamine?
The InChIKey is BXIYUNOYMWDZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-12(15-2)13-5-4-6-14(11-13)18-10-9-17-8-7-16-3/h4-6,11-12,15H,7-10H2,1-3H3.
What are the key properties of 1-[3-[2-(2-methoxyethoxy)ethylsulfanyl]phenyl]-N-methylethanamine?
1-[3-[2-(2-methoxyethoxy)ethylsulfanyl]phenyl]-N-methylethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-methoxyethoxy)ethylsulfanyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 64663152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).