1-[4-(2-methoxyphenyl)sulfanylphenyl]-N-methylethanamine

C16H19NOS — CID 61290166

IUPAC1-[4-(2-methoxyphenyl)sulfanylphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Sc2ccccc2OC)cc1
InChIInChI=1S/C16H19NOS/c1-12(17-2)13-8-10-14(11-9-13)19-16-7-5-4-6-15(16)18-3/h4-12,17H,1-3H3
InChIKeyZSRCVVGWUFKFTM-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.13
Rot. Bonds5

About 1-[4-(2-methoxyphenyl)sulfanylphenyl]-N-methylethanamine

1-[4-(2-methoxyphenyl)sulfanylphenyl]-N-methylethanamine (PubChem CID 61290166) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)sulfanylphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)sulfanylphenyl]-N-methylethanamine
PubChem CID61290166
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-[4-(2-methoxyphenyl)sulfanylphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Sc2ccccc2OC)cc1
InChIInChI=1S/C16H19NOS/c1-12(17-2)13-8-10-14(11-9-13)19-16-7-5-4-6-15(16)18-3/h4-12,17H,1-3H3
InChIKeyZSRCVVGWUFKFTM-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-chlorophenyl)sulfanylphenyl]-N-methylethanamine
CID 43286279
4-(2-methoxyphenyl)sulfanyl-2-methylaniline
CID 61298004
1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine
CID 3075829
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine
CID 43285605
(1R)-1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]ethanol
CID 83129622
ethane;N-methyl-1-phenylethanamine
CID 91444453
2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 52772198
(1S)-1-(2-methoxy-6-phenylsulfanylphenyl)ethanamine
CID 113389113
1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-N-methylethanamine
CID 43286117
1-[4-(2,2-difluoro-2-phenylethyl)sulfanylphenyl]-N-methylethanamine
CID 116790706
1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64626316

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)sulfanylphenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(2-methoxyphenyl)sulfanylphenyl]-N-methylethanamine (CID 61290166) is 1-[4-(2-methoxyphenyl)sulfanylphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)sulfanylphenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(2-methoxyphenyl)sulfanylphenyl]-N-methylethanamine is CNC(C)c1ccc(Sc2ccccc2OC)cc1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)sulfanylphenyl]-N-methylethanamine?
The InChIKey is ZSRCVVGWUFKFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-12(17-2)13-8-10-14(11-9-13)19-16-7-5-4-6-15(16)18-3/h4-12,17H,1-3H3.
What are the key properties of 1-[4-(2-methoxyphenyl)sulfanylphenyl]-N-methylethanamine?
1-[4-(2-methoxyphenyl)sulfanylphenyl]-N-methylethanamine has a molecular weight of 273.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)sulfanylphenyl]-N-methylethanamine is sourced from PubChem (CID 61290166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).