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

C15H16BrNS — CID 826530

IUPAC1-[2-(4-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1Sc1ccc(Br)cc1
InChIInChI=1S/C15H16BrNS/c1-17(2)11-12-5-3-4-6-15(12)18-14-9-7-13(16)8-10-14/h3-10H,11H2,1-2H3
InChIKeyWFNHVKLFNZTOQI-UHFFFAOYSA-N
MW322.27 g/mol
LogP4.66
Rot. Bonds4

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

1-[2-(4-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine (PubChem CID 826530) has the molecular formula C15H16BrNS and a molecular weight of 322.27 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine
PubChem CID826530
Molecular FormulaC15H16BrNS
Molecular Weight322.27 g/mol
Exact Mass321.02
IUPAC Name1-[2-(4-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1Sc1ccc(Br)cc1
InChIInChI=1S/C15H16BrNS/c1-17(2)11-12-5-3-4-6-15(12)18-14-9-7-13(16)8-10-14/h3-10H,11H2,1-2H3
InChIKeyWFNHVKLFNZTOQI-UHFFFAOYSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperazinium, 4-(8-bromo-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1,1-dimethyl-, iodide
CID 206235
Benzenemethanamine, N,N-dimethyl-2-((4-fluorophenyl)thio)-, hydrochloride
CID 3071789
Benzenemethanamine, 2-((2-bromophenyl)thio)-N,N-dimethyl-, hydrochloride
CID 3071793
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
N-{2-[(2-bromophenyl)sulfanyl]benzyl}-N,N-dimethylamine
CID 826532
N,N-dimethyl-N-[2-(phenylsulfanyl)benzyl]amine
CID 3080259
N-benzyl-2-(4-bromophenyl)sulfanyl-N-methylacetamide
CID 2355228
N-{2-[(2-fluorophenyl)sulfanyl]benzyl}-N,N-dimethylamine
CID 826620
N-ethyl-N-[2-(phenylsulfanyl)benzyl]ethanamine
CID 827372
1-[1-(5-Bromo-2-phenylsulfanylphenyl)ethyl]-4-methylpiperazine
CID 3086885

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(4-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine (CID 826530) is 1-[2-(4-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(4-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(4-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccccc1Sc1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
The InChIKey is WFNHVKLFNZTOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNS/c1-17(2)11-12-5-3-4-6-15(12)18-14-9-7-13(16)8-10-14/h3-10H,11H2,1-2H3.
What are the key properties of 1-[2-(4-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
1-[2-(4-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine has a molecular weight of 322.27 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 826530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).