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

C18H24ClNOS — CID 3075834

IUPAC1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine;hydrochloride
SMILESCOc1ccccc1Sc1ccccc1CC(C)N(C)C.Cl
InChIInChI=1S/C18H23NOS.ClH/c1-14(19(2)3)13-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)20-4;/h5-12,14H,13H2,1-4H3;1H
InChIKeyNCAPSIOMQAOOPK-UHFFFAOYSA-N
MW337.92 g/mol
LogP4.76
Rot. Bonds6

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

1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine;hydrochloride (PubChem CID 3075834) has the molecular formula C18H24ClNOS and a molecular weight of 337.92 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine;hydrochloride
PubChem CID3075834
Molecular FormulaC18H24ClNOS
Molecular Weight337.92 g/mol
Exact Mass337.13
IUPAC Name1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine;hydrochloride
SMILESCOc1ccccc1Sc1ccccc1CC(C)N(C)C.Cl
InChIInChI=1S/C18H23NOS.ClH/c1-14(19(2)3)13-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)20-4;/h5-12,14H,13H2,1-4H3;1H
InChIKeyNCAPSIOMQAOOPK-UHFFFAOYSA-N
XLogP4.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.92
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phenol, 2-((2-(2-(dimethylamino)propyl)phenyl)thio)-, hydrochloride
CID 3075846
Benzenemethanamine, N,N-dimethyl-2-((3-methoxyphenyl)thio)-, hydrochloride
CID 3080282
Benzenemethanamine, 2-((4-methoxyphenyl)thio)-N-methyl-, hydrochloride
CID 3080290
1-[2-(2-Methoxyphenyl)sulfanylphenyl]propan-2-amine;hydrate;hydrochloride
CID 15945636
Thioxanthene, 2-methoxy-9-(3-(dimethylamino)propylidene)-, hydrochloride, (E)-
CID 6446686
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
Benzeneethanamine, 2-((4-methoxyphenyl)thio)-alpha-methyl-, hydrochloride
CID 3075824
Benzeneethanamine, 2-((2-methoxyphenyl)thio)-N,alpha-dimethyl-, ethanedioate (1:1)
CID 3075828
Benzeneethanamine, 2-((4-methoxyphenyl)thio)-N,alpha-dimethyl-, hydrochloride
CID 3075830
Benzeneethanamine, 2-((4-methoxyphenyl)thio)-N,N,alpha-trimethyl-, ethanedioate (1:1)
CID 3075836

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine;hydrochloride (CID 3075834) is 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine;hydrochloride is COc1ccccc1Sc1ccccc1CC(C)N(C)C.Cl.
What is the InChIKey of 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine;hydrochloride?
The InChIKey is NCAPSIOMQAOOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS.ClH/c1-14(19(2)3)13-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)20-4;/h5-12,14H,13H2,1-4H3;1H.
What are the key properties of 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine;hydrochloride?
1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine;hydrochloride has a molecular weight of 337.92 g/mol, XLogP of 4.76, 6 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-dimethylpropan-2-amine;hydrochloride is sourced from PubChem (CID 3075834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).