1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine chloride

C17H21ClNO2S- — CID 53313584

IUPAC1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine chloride
SMILESCOc1ccc(Sc2ccccc2CN(C)C)cc1OC.[Cl-]
InChIInChI=1S/C17H21NO2S.ClH/c1-18(2)12-13-7-5-6-8-17(13)21-14-9-10-15(19-3)16(11-14)20-4;/h5-11H,12H2,1-4H3;1H/p-1
InChIKeyXQLYIWQCQGHYTQ-UHFFFAOYSA-M
MW338.88 g/mol
LogP0.92
Rot. Bonds6

About 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine chloride

1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine chloride (PubChem CID 53313584) has the molecular formula C17H21ClNO2S- and a molecular weight of 338.88 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine chloride.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine chloride
PubChem CID53313584
Molecular FormulaC17H21ClNO2S-
Molecular Weight338.88 g/mol
Exact Mass338.10
IUPAC Name1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine chloride
SMILESCOc1ccc(Sc2ccccc2CN(C)C)cc1OC.[Cl-]
InChIInChI=1S/C17H21NO2S.ClH/c1-18(2)12-13-7-5-6-8-17(13)21-14-9-10-15(19-3)16(11-14)20-4;/h5-11H,12H2,1-4H3;1H/p-1
InChIKeyXQLYIWQCQGHYTQ-UHFFFAOYSA-M
XLogP0.92
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
CID 1044030
1-[2-(4-fluoro-3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
CID 67632592
[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methanamine;hydrochloride
CID 3080305
1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
CID 596799
(Z)-but-2-enedioic acid;1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
CID 20841313
ethyl 3-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzoate
CID 16641185
bis(N,N,N'-trimethyl-N'-[(2-naphthalen-2-ylsulfanylphenyl)methyl]propane-1,3-diamine);hydrate;tetrahydrochloride
CID 172885426
2-[(E)-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]guanidine
CID 44572744
1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine
CID 11278391
1-[2-[4-iodo-2-(methoxymethyl)phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;potassiopotassium
CID 159573255
1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine
CID 162400127
1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 13212596

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine chloride?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine chloride (CID 53313584) is 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine chloride.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine chloride?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine chloride is COc1ccc(Sc2ccccc2CN(C)C)cc1OC.[Cl-].
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine chloride?
The InChIKey is XQLYIWQCQGHYTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H21NO2S.ClH/c1-18(2)12-13-7-5-6-8-17(13)21-14-9-10-15(19-3)16(11-14)20-4;/h5-11H,12H2,1-4H3;1H/p-1.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine chloride?
1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine chloride has a molecular weight of 338.88 g/mol, XLogP of 0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine chloride is sourced from PubChem (CID 53313584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).