1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine

C16H19NOS — CID 826342

IUPAC1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(Sc2ccccc2CN(C)C)cc1
InChIInChI=1S/C16H19NOS/c1-17(2)12-13-6-4-5-7-16(13)19-15-10-8-14(18-3)9-11-15/h4-11H,12H2,1-3H3
InChIKeyQPEXKHAYIOIQOH-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.91
Rot. Bonds5

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

1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine (PubChem CID 826342) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
PubChem CID826342
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(Sc2ccccc2CN(C)C)cc1
InChIInChI=1S/C16H19NOS/c1-17(2)12-13-6-4-5-7-16(13)19-15-10-8-14(18-3)9-11-15/h4-11H,12H2,1-3H3
InChIKeyQPEXKHAYIOIQOH-UHFFFAOYSA-N
XLogP3.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Methoxy-4-methyl-2,3,4,5-tetrahydro-1,4-benzothiazepine
CID 24763624
N,N-dimethyl-1-(2-(4-(methylthio)phenoxy)phenyl)methanamine
CID 9900179
Benzenemethanamine, N,N-dimethyl-2-((3-methoxyphenyl)thio)-, hydrochloride
CID 3080282
1-(5-methoxy-2-(4-(methylthio)phenoxy)phenyl)-N,N-dimethylmethanamine
CID 23378663
N,N-dimethyl-1-(5-methyl-2-(4-(methylthio)phenoxy)phenyl)methanamine
CID 23378746
Benzenemethanamine, 2-((3,4-dimethoxyphenyl)thio)-N,N-dimethyl-, hydrochloride
CID 3080287
Benzenemethanamine, 2-((4-methoxyphenyl)thio)-N-methyl-, hydrochloride
CID 3080290
[2-(4-Methoxy-phenyl)-ethyl]-(4-methylsulfanyl-benzyl)-amine
CID 1615655
1-Benzyl-4-piperidinyl 4-(methylsulfanyl)phenyl ether
CID 14400565
1-(5-fluoro-2-(4-(methylsulfinyl)phenoxy)phenyl)-N,N-dimethylmethanamine
CID 44579403
(5-fluoro-2-(4-(methylthio)phenoxy)phenyl)-N,N-dimethylmethanamine
CID 44593522
N-Benzyl-N-ethyl-4-methoxy-benzenesulfonamide
CID 742463

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine (CID 826342) is 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine is COc1ccc(Sc2ccccc2CN(C)C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
The InChIKey is QPEXKHAYIOIQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-17(2)12-13-6-4-5-7-16(13)19-15-10-8-14(18-3)9-11-15/h4-11H,12H2,1-3H3.
What are the key properties of 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 826342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).