1-[2-[2-(dimethylamino)ethylsulfanyl]-6-methoxyphenyl]-N-methylethanamine

C14H24N2OS — CID 113389150

IUPAC1-[2-[2-(dimethylamino)ethylsulfanyl]-6-methoxyphenyl]-N-methylethanamine
SMILESCNC(C)c1c(OC)cccc1SCCN(C)C
InChIInChI=1S/C14H24N2OS/c1-11(15-2)14-12(17-5)7-6-8-13(14)18-10-9-16(3)4/h6-8,11,15H,9-10H2,1-5H3
InChIKeyJYKHFWPCWNYDKM-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.63
Rot. Bonds7

About 1-[2-[2-(dimethylamino)ethylsulfanyl]-6-methoxyphenyl]-N-methylethanamine

1-[2-[2-(dimethylamino)ethylsulfanyl]-6-methoxyphenyl]-N-methylethanamine (PubChem CID 113389150) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)ethylsulfanyl]-6-methoxyphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)ethylsulfanyl]-6-methoxyphenyl]-N-methylethanamine
PubChem CID113389150
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-[2-[2-(dimethylamino)ethylsulfanyl]-6-methoxyphenyl]-N-methylethanamine
SMILESCNC(C)c1c(OC)cccc1SCCN(C)C
InChIInChI=1S/C14H24N2OS/c1-11(15-2)14-12(17-5)7-6-8-13(14)18-10-9-16(3)4/h6-8,11,15H,9-10H2,1-5H3
InChIKeyJYKHFWPCWNYDKM-UHFFFAOYSA-N
XLogP2.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]sulfanylacetamide
CID 114231324
N-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine
CID 113389112
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
N-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740278
1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 113389088
1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 116810226
2-[3-methoxy-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107480617
2-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]sulfanyl-N-methylacetamide
CID 114232132
1-(2-cyclopentyloxy-6-methoxyphenyl)-N-methylethanamine
CID 113389061
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 112700389
1-(2-butan-2-ylsulfanyl-6-methoxyphenyl)-N-ethylethanamine
CID 113389108
1-[4-(2-methoxyphenyl)sulfanylphenyl]-N-methylethanamine
CID 61290166

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)ethylsulfanyl]-6-methoxyphenyl]-N-methylethanamine?
The IUPAC name of 1-[2-[2-(dimethylamino)ethylsulfanyl]-6-methoxyphenyl]-N-methylethanamine (CID 113389150) is 1-[2-[2-(dimethylamino)ethylsulfanyl]-6-methoxyphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[2-(dimethylamino)ethylsulfanyl]-6-methoxyphenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-[2-(dimethylamino)ethylsulfanyl]-6-methoxyphenyl]-N-methylethanamine is CNC(C)c1c(OC)cccc1SCCN(C)C.
What is the InChIKey of 1-[2-[2-(dimethylamino)ethylsulfanyl]-6-methoxyphenyl]-N-methylethanamine?
The InChIKey is JYKHFWPCWNYDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-11(15-2)14-12(17-5)7-6-8-13(14)18-10-9-16(3)4/h6-8,11,15H,9-10H2,1-5H3.
What are the key properties of 1-[2-[2-(dimethylamino)ethylsulfanyl]-6-methoxyphenyl]-N-methylethanamine?
1-[2-[2-(dimethylamino)ethylsulfanyl]-6-methoxyphenyl]-N-methylethanamine has a molecular weight of 268.43 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)ethylsulfanyl]-6-methoxyphenyl]-N-methylethanamine is sourced from PubChem (CID 113389150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).