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

C16H20ClNOS — CID 3080281

IUPAC1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCOc1ccccc1Sc1ccccc1CN(C)C.Cl
InChIInChI=1S/C16H19NOS.ClH/c1-17(2)12-13-8-4-6-10-15(13)19-16-11-7-5-9-14(16)18-3;/h4-11H,12H2,1-3H3;1H
InChIKeyHVHNQYAUEZFNRW-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.33
Rot. Bonds5

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

1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride (PubChem CID 3080281) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
PubChem CID3080281
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC Name1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCOc1ccccc1Sc1ccccc1CN(C)C.Cl
InChIInChI=1S/C16H19NOS.ClH/c1-17(2)12-13-8-4-6-10-15(13)19-16-11-7-5-9-14(16)18-3;/h4-11H,12H2,1-3H3;1H
InChIKeyHVHNQYAUEZFNRW-UHFFFAOYSA-N
XLogP4.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-(2-(4-(methylthio)phenoxy)phenyl)methanamine
CID 9900179
Benzenemethanamine, N,N-dimethyl-2-((3-methoxyphenyl)thio)-, hydrochloride
CID 3080282
Benzenemethanamine, 2-((3,4-dimethoxyphenyl)thio)-N,N-dimethyl-, hydrochloride
CID 3080287
Benzenemethanamine, 2-((4-methoxyphenyl)thio)-N-methyl-, hydrochloride
CID 3080290
1-Benzyl-4-[2-(methylsulfanyl)phenoxy]piperidine
CID 14400564
1-Benzyl-4-piperidinyl 4-(methylsulfanyl)phenyl ether
CID 14400565
CID 15945636
CID 15945636
Pyrrolidine, 1-[[4-[(4-methoxyphenyl)thio]phenyl]methyl]-
CID 11771014
S107 hydrochloride
CID 53311704
11H-Dibenzo(b,e)(1,4)oxathiepin-11-ethanamine, N,N-diethyl-
CID 3067362
11H-Dibenzo(b,e)(1,4)oxathiepin-11-ethanamine, N,N-dimethyl-, hydrochloride, (+-)-
CID 3067380
Benzeneethanamine, 2-((2-methoxyphenyl)thio)-alpha-methyl-, hydrochloride
CID 3075822

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride (CID 3080281) is 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride is COc1ccccc1Sc1ccccc1CN(C)C.Cl.
What is the InChIKey of 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The InChIKey is HVHNQYAUEZFNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS.ClH/c1-17(2)12-13-8-4-6-10-15(13)19-16-11-7-5-9-14(16)18-3;/h4-11H,12H2,1-3H3;1H.
What are the key properties of 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride has a molecular weight of 309.86 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 3080281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).