1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride

C15H17BrClNS — CID 3071802

IUPAC1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)Cc1ccccc1Sc1cccc(Br)c1.Cl
InChIInChI=1S/C15H16BrNS.ClH/c1-17(2)11-12-6-3-4-9-15(12)18-14-8-5-7-13(16)10-14;/h3-10H,11H2,1-2H3;1H
InChIKeyRCHMSNAOUWDHQI-UHFFFAOYSA-N
MW358.73 g/mol
LogP5.08
Rot. Bonds4

About 1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride

1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride (PubChem CID 3071802) has the molecular formula C15H17BrClNS and a molecular weight of 358.73 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
PubChem CID3071802
Molecular FormulaC15H17BrClNS
Molecular Weight358.73 g/mol
Exact Mass357.00
IUPAC Name1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)Cc1ccccc1Sc1cccc(Br)c1.Cl
InChIInChI=1S/C15H16BrNS.ClH/c1-17(2)11-12-6-3-4-9-15(12)18-14-8-5-7-13(16)10-14;/h3-10H,11H2,1-2H3;1H
InChIKeyRCHMSNAOUWDHQI-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride (CID 3071802) is 1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride is CN(C)Cc1ccccc1Sc1cccc(Br)c1.Cl.
What is the InChIKey of 1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The InChIKey is RCHMSNAOUWDHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNS.ClH/c1-17(2)11-12-6-3-4-9-15(12)18-14-8-5-7-13(16)10-14;/h3-10H,11H2,1-2H3;1H.
What are the key properties of 1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
1-[2-(3-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-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 3071802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).