1-[3-[3-[(dimethylamino)methyl]phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;dihydrochloride

C18H26Cl2N2S — CID 172885498

IUPAC1-[3-[3-[(dimethylamino)methyl]phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;dihydrochloride
SMILESCN(C)Cc1cccc(Sc2cccc(CN(C)C)c2)c1.Cl.Cl
InChIInChI=1S/C18H24N2S.2ClH/c1-19(2)13-15-7-5-9-17(11-15)21-18-10-6-8-16(12-18)14-20(3)4;;/h5-12H,13-14H2,1-4H3;2*1H
InChIKeyMSIAYUXKMGQIEK-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.80
Rot. Bonds6

About 1-[3-[3-[(dimethylamino)methyl]phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;dihydrochloride

1-[3-[3-[(dimethylamino)methyl]phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;dihydrochloride (PubChem CID 172885498) has the molecular formula C18H26Cl2N2S and a molecular weight of 373.39 g/mol. Its IUPAC name is 1-[3-[3-[(dimethylamino)methyl]phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-[3-[3-[(dimethylamino)methyl]phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;dihydrochloride
PubChem CID172885498
Molecular FormulaC18H26Cl2N2S
Molecular Weight373.39 g/mol
Exact Mass372.12
IUPAC Name1-[3-[3-[(dimethylamino)methyl]phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;dihydrochloride
SMILESCN(C)Cc1cccc(Sc2cccc(CN(C)C)c2)c1.Cl.Cl
InChIInChI=1S/C18H24N2S.2ClH/c1-19(2)13-15-7-5-9-17(11-15)21-18-10-6-8-16(12-18)14-20(3)4;;/h5-12H,13-14H2,1-4H3;2*1H
InChIKeyMSIAYUXKMGQIEK-UHFFFAOYSA-N
XLogP4.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(bromomethyl)-3-[3-(bromomethyl)phenyl]sulfanylbenzene
CID 140753778
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
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CID 74246309
1-benzyl-3-(3-benzylphenyl)sulfanylbenzene
CID 141375916
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
3-[(dimethylamino)methyl]-N-phenylaniline
CID 173320558
2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride
CID 119853176
1-[2-(3-methoxyphenyl)sulfanylthiophen-3-yl]-N,N-dimethylmethanamine;hydrochloride
CID 3077475
1-[3-[(4-chlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine
CID 50852257

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(dimethylamino)methyl]phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;dihydrochloride?
The IUPAC name of 1-[3-[3-[(dimethylamino)methyl]phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;dihydrochloride (CID 172885498) is 1-[3-[3-[(dimethylamino)methyl]phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;dihydrochloride.
What is the SMILES notation for 1-[3-[3-[(dimethylamino)methyl]phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;dihydrochloride?
The canonical SMILES for 1-[3-[3-[(dimethylamino)methyl]phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;dihydrochloride is CN(C)Cc1cccc(Sc2cccc(CN(C)C)c2)c1.Cl.Cl.
What is the InChIKey of 1-[3-[3-[(dimethylamino)methyl]phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;dihydrochloride?
The InChIKey is MSIAYUXKMGQIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S.2ClH/c1-19(2)13-15-7-5-9-17(11-15)21-18-10-6-8-16(12-18)14-20(3)4;;/h5-12H,13-14H2,1-4H3;2*1H.
What are the key properties of 1-[3-[3-[(dimethylamino)methyl]phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;dihydrochloride?
1-[3-[3-[(dimethylamino)methyl]phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;dihydrochloride has a molecular weight of 373.39 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[(dimethylamino)methyl]phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;dihydrochloride is sourced from PubChem (CID 172885498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).