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

C15H16BrNS — CID 2794184

IUPAC1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1Sc1cccc(Br)c1
InChIInChI=1S/C15H16BrNS/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
InChIKeyXFOGYZDUEDDHBN-UHFFFAOYSA-N
MW322.27 g/mol
LogP4.66
Rot. Bonds4

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

1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine (PubChem CID 2794184) has the molecular formula C15H16BrNS and a molecular weight of 322.27 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine
PubChem CID2794184
Molecular FormulaC15H16BrNS
Molecular Weight322.27 g/mol
Exact Mass321.02
IUPAC Name1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1Sc1cccc(Br)c1
InChIInChI=1S/C15H16BrNS/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
InChIKeyXFOGYZDUEDDHBN-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine (CID 2794184) is 1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccccc1Sc1cccc(Br)c1.
What is the InChIKey of 1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
The InChIKey is XFOGYZDUEDDHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNS/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.
What are the key properties of 1-[2-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
1-[2-(3-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-(3-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 2794184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).