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

C17H21NO2S — CID 596799

IUPAC1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(Sc2ccccc2CN(C)C)c(OC)c1
InChIInChI=1S/C17H21NO2S/c1-18(2)12-13-7-5-6-8-16(13)21-17-10-9-14(19-3)11-15(17)20-4/h5-11H,12H2,1-4H3
InChIKeyRHBINFXLXUFIFV-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.92
Rot. Bonds6

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

1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine (PubChem CID 596799) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
PubChem CID596799
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(Sc2ccccc2CN(C)C)c(OC)c1
InChIInChI=1S/C17H21NO2S/c1-18(2)12-13-7-5-6-8-16(13)21-17-10-9-14(19-3)11-15(17)20-4/h5-11H,12H2,1-4H3
InChIKeyRHBINFXLXUFIFV-UHFFFAOYSA-N
XLogP3.92
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-but-2-enedioic acid;1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
CID 20841313
1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine
CID 11278391
1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine chloride
CID 53313584
(Z)-but-2-enedioate;[2-(2,4-dimethoxyphenyl)sulfanylphenyl]methanamine
CID 20841319
1-[2-(4-fluoro-3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
CID 67632592
(Z)-but-2-enedioic acid;1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine
CID 20841316
1-[2-[4-iodo-2-(methoxymethyl)phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;potassiopotassium
CID 159573255
1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
CID 1044030
CID 58036134
CID 58036134
1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene
CID 141087077
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
4-[2-[(dimethylamino)methyl]phenyl]sulfanyl-3-(trifluoromethyl)benzenethiol
CID 171976740

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine (CID 596799) is 1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine is COc1ccc(Sc2ccccc2CN(C)C)c(OC)c1.
What is the InChIKey of 1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
The InChIKey is RHBINFXLXUFIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-18(2)12-13-7-5-6-8-16(13)21-17-10-9-14(19-3)11-15(17)20-4/h5-11H,12H2,1-4H3.
What are the key properties of 1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine has a molecular weight of 303.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 596799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).