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

C15H15BrFNS — CID 10359881

IUPAC1-[2-(4-bromo-2-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1Sc1ccc(Br)cc1F
InChIInChI=1S/C15H15BrFNS/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10H2,1-2H3
InChIKeyZDEYECGBPAPGAL-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.80
Rot. Bonds4

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

1-[2-(4-bromo-2-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine (PubChem CID 10359881) has the molecular formula C15H15BrFNS and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(4-bromo-2-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine
PubChem CID10359881
Molecular FormulaC15H15BrFNS
Molecular Weight340.26 g/mol
Exact Mass339.01
IUPAC Name1-[2-(4-bromo-2-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1Sc1ccc(Br)cc1F
InChIInChI=1S/C15H15BrFNS/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10H2,1-2H3
InChIKeyZDEYECGBPAPGAL-UHFFFAOYSA-N
XLogP4.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(4-bromo-2-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine (CID 10359881) is 1-[2-(4-bromo-2-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(4-bromo-2-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(4-bromo-2-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccccc1Sc1ccc(Br)cc1F.
What is the InChIKey of 1-[2-(4-bromo-2-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
The InChIKey is ZDEYECGBPAPGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNS/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10H2,1-2H3.
What are the key properties of 1-[2-(4-bromo-2-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
1-[2-(4-bromo-2-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine has a molecular weight of 340.26 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 10359881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).