1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine

C19H25NO2S — CID 3075839

IUPAC1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine
SMILESCOc1ccc(Sc2ccccc2CC(C)N(C)C)cc1OC
InChIInChI=1S/C19H25NO2S/c1-14(20(2)3)12-15-8-6-7-9-19(15)23-16-10-11-17(21-4)18(13-16)22-5/h6-11,13-14H,12H2,1-5H3
InChIKeyGACPGDCZXXWKFP-UHFFFAOYSA-N
MW331.48 g/mol
LogP4.35
Rot. Bonds7

About 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine

1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine (PubChem CID 3075839) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine
PubChem CID3075839
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC Name1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine
SMILESCOc1ccc(Sc2ccccc2CC(C)N(C)C)cc1OC
InChIInChI=1S/C19H25NO2S/c1-14(20(2)3)12-15-8-6-7-9-19(15)23-16-10-11-17(21-4)18(13-16)22-5/h6-11,13-14H,12H2,1-5H3
InChIKeyGACPGDCZXXWKFP-UHFFFAOYSA-N
XLogP4.35
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzenemethanamine, N,N-dimethyl-2-((3-methoxyphenyl)thio)-, hydrochloride
CID 3080282
Benzenemethanamine, 2-((3,4-dimethoxyphenyl)thio)-N,N-dimethyl-, hydrochloride
CID 3080287
1-benzyl-4-[(E)-2-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyethenyl]piperidine
CID 168271975
Benzeneethanamine, 2-((4-methoxyphenyl)thio)-alpha-methyl-, hydrochloride
CID 3075824
Benzeneethanamine, 2-((3,4-dimethoxyphenyl)thio)-alpha-methyl-, hydrochloride
CID 3075826
Benzeneethanamine, 2-((4-methoxyphenyl)thio)-N,alpha-dimethyl-, hydrochloride
CID 3075830
Benzeneethanamine, 2-((3,4-dimethoxyphenyl)thio)-N,alpha-dimethyl-, ethanedioate (1:1)
CID 3075832
Benzeneethanamine, 2-((2-methoxyphenyl)thio)-N,N,alpha-trimethyl-, hydrochloride
CID 3075834
Benzeneethanamine, 2-((4-methoxyphenyl)thio)-N,N,alpha-trimethyl-, ethanedioate (1:1)
CID 3075836
Benzeneethanamine, 2-((3,4-dimethoxyphenyl)thio)-N,N,alpha-trimethyl-, ethanedioate (1:1)
CID 3075838
Benzenemethanamine, 4-fluoro-2-((3-methoxyphenyl)thio)-N,N-dimethyl-, hydrochloride
CID 3077635
Benzenemethanamine, 5-fluoro-2-((3-methoxyphenyl)thio)-N,N-dimethyl-, hydrochloride
CID 3077637

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine (CID 3075839) is 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine is COc1ccc(Sc2ccccc2CC(C)N(C)C)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine?
The InChIKey is GACPGDCZXXWKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-14(20(2)3)12-15-8-6-7-9-19(15)23-16-10-11-17(21-4)18(13-16)22-5/h6-11,13-14H,12H2,1-5H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine?
1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine has a molecular weight of 331.48 g/mol, XLogP of 4.35, 7 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-dimethylpropan-2-amine is sourced from PubChem (CID 3075839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).