1-[2-(2-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride

C15H17BrClNS — CID 3071793

IUPAC1-[2-(2-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)Cc1ccccc1Sc1ccccc1Br.Cl
InChIInChI=1S/C15H16BrNS.ClH/c1-17(2)11-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16;/h3-10H,11H2,1-2H3;1H
InChIKeyPGJOGUIUDGEWPU-UHFFFAOYSA-N
MW358.73 g/mol
LogP5.08
Rot. Bonds4

About 1-[2-(2-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride

1-[2-(2-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride (PubChem CID 3071793) has the molecular formula C15H17BrClNS and a molecular weight of 358.73 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
PubChem CID3071793
Molecular FormulaC15H17BrClNS
Molecular Weight358.73 g/mol
Exact Mass357.00
IUPAC Name1-[2-(2-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)Cc1ccccc1Sc1ccccc1Br.Cl
InChIInChI=1S/C15H16BrNS.ClH/c1-17(2)11-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16;/h3-10H,11H2,1-2H3;1H
InChIKeyPGJOGUIUDGEWPU-UHFFFAOYSA-N
XLogP5.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.73
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-{2-[(4-bromophenyl)sulfanyl]benzyl}-N,N-dimethylamine
CID 826530
Benzenemethanamine, N,N-dimethyl-2-((4-fluorophenyl)thio)-, hydrochloride
CID 3071789
Benzenemethanamine, N,N-dimethyl-2-((2-fluorophenyl)thio)-, hydrochloride
CID 3071798
Benzenemethanamine, 2-((3-bromophenyl)thio)-N,N-dimethyl-, hydrochloride
CID 3071802
Benzenemethanamine, 2-((4-bromophenyl)thio)-N,N-dimethyl-, hydrochloride
CID 3071803
Benzenemethanamine, N,N-dimethyl-3-(phenylthio)-, hydrochloride
CID 3072283
N-{2-[(2-bromophenyl)sulfanyl]benzyl}-N,N-dimethylamine
CID 826532
N,N-dimethyl-N-[2-(phenylsulfanyl)benzyl]amine
CID 3080259
N-{2-[(2-fluorophenyl)sulfanyl]benzyl}-N,N-dimethylamine
CID 826620
N-ethyl-N-[2-(phenylsulfanyl)benzyl]ethanamine
CID 827372
5-Bromo-2-(2-((dimethylamino)methyl)phenyl-thio)benzonitrile
CID 129823070
(2-(2-(aminomethyl)-4-bromophenylthio)phenyl)-N,N-dimethylmethanamine
CID 129823108

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 1-[2-(2-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride (CID 3071793) is 1-[2-(2-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 1-[2-(2-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 1-[2-(2-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride is CN(C)Cc1ccccc1Sc1ccccc1Br.Cl.
What is the InChIKey of 1-[2-(2-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The InChIKey is PGJOGUIUDGEWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNS.ClH/c1-17(2)11-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16;/h3-10H,11H2,1-2H3;1H.
What are the key properties of 1-[2-(2-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
1-[2-(2-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride has a molecular weight of 358.73 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 3071793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).