N-[(4-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methyl]ethanamine

C15H18BrNS2 — CID 102827690

IUPACN-[(4-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)c(C)s1)c1ccccc1SC
InChIInChI=1S/C15H18BrNS2/c1-4-17-15(14-9-12(16)10(2)19-14)11-7-5-6-8-13(11)18-3/h5-9,15,17H,4H2,1-3H3
InChIKeyLOOCXQOLZZLDKT-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.24
Rot. Bonds5

About N-[(4-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methyl]ethanamine

N-[(4-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methyl]ethanamine (PubChem CID 102827690) has the molecular formula C15H18BrNS2 and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[(4-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methyl]ethanamine
PubChem CID102827690
Molecular FormulaC15H18BrNS2
Molecular Weight356.35 g/mol
Exact Mass355.01
IUPAC NameN-[(4-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)c(C)s1)c1ccccc1SC
InChIInChI=1S/C15H18BrNS2/c1-4-17-15(14-9-12(16)10(2)19-14)11-7-5-6-8-13(11)18-3/h5-9,15,17H,4H2,1-3H3
InChIKeyLOOCXQOLZZLDKT-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)methyl]ethanamine
CID 102827553
N-[(4-bromo-5-methylthiophen-2-yl)-(2,3-difluorophenyl)methyl]ethanamine
CID 102827536
N-[(4-bromo-5-methylthiophen-2-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 102827561
N-[(4,5-dibromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine
CID 80533829
N-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 102763887
N-[(2-bromo-3-fluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine
CID 102827933
N-[(4-bromo-5-methylthiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 102827722
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 102827456
N-[(4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 102827672
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-methylsulfanylphenyl)methyl]ethanamine
CID 106764378
N-[(4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 102827490
1-(4-bromo-5-methylthiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 102827334

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methyl]ethanamine (CID 102827690) is N-[(4-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methyl]ethanamine is CCNC(c1cc(Br)c(C)s1)c1ccccc1SC.
What is the InChIKey of N-[(4-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methyl]ethanamine?
The InChIKey is LOOCXQOLZZLDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS2/c1-4-17-15(14-9-12(16)10(2)19-14)11-7-5-6-8-13(11)18-3/h5-9,15,17H,4H2,1-3H3.
What are the key properties of N-[(4-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methyl]ethanamine?
N-[(4-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methyl]ethanamine has a molecular weight of 356.35 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 102827690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).