N-[[2-(2-bromophenyl)sulfanyl-5-chlorophenyl]methyl]ethanamine

C15H15BrClNS — CID 114864304

IUPACN-[[2-(2-bromophenyl)sulfanyl-5-chlorophenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1Sc1ccccc1Br
InChIInChI=1S/C15H15BrClNS/c1-2-18-10-11-9-12(17)7-8-14(11)19-15-6-4-3-5-13(15)16/h3-9,18H,2,10H2,1H3
InChIKeyYWQUQNTXAJACOY-UHFFFAOYSA-N
MW356.72 g/mol
LogP5.36
Rot. Bonds5

About N-[[2-(2-bromophenyl)sulfanyl-5-chlorophenyl]methyl]ethanamine

N-[[2-(2-bromophenyl)sulfanyl-5-chlorophenyl]methyl]ethanamine (PubChem CID 114864304) has the molecular formula C15H15BrClNS and a molecular weight of 356.72 g/mol. Its IUPAC name is N-[[2-(2-bromophenyl)sulfanyl-5-chlorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-bromophenyl)sulfanyl-5-chlorophenyl]methyl]ethanamine
PubChem CID114864304
Molecular FormulaC15H15BrClNS
Molecular Weight356.72 g/mol
Exact Mass354.98
IUPAC NameN-[[2-(2-bromophenyl)sulfanyl-5-chlorophenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1Sc1ccccc1Br
InChIInChI=1S/C15H15BrClNS/c1-2-18-10-11-9-12(17)7-8-14(11)19-15-6-4-3-5-13(15)16/h3-9,18H,2,10H2,1H3
InChIKeyYWQUQNTXAJACOY-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.72
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine
CID 114864195
N-[[2-(2-bromophenyl)sulfanyl-4-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 114864301
N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine
CID 82553412
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
1-bromo-2-(2-bromophenyl)sulfanyl-4-chlorobenzene
CID 177169783
N-[[2-(1,3-benzoxazol-2-ylsulfanyl)-5-chlorophenyl]methyl]ethanamine
CID 114864141
1-[5-chloro-2-(2-methylphenyl)sulfanylphenyl]-N-methylmethanamine
CID 114864440
N-[[5-chloro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 106926444
3-[4-chloro-2-(ethylaminomethyl)phenyl]sulfanylpropan-1-ol
CID 114865002
N-[[4-bromo-2-(2-bromophenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63809583
2-(2-bromophenyl)sulfanyl-4-chloroaniline
CID 115469523
N-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine
CID 114864071

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromophenyl)sulfanyl-5-chlorophenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-bromophenyl)sulfanyl-5-chlorophenyl]methyl]ethanamine (CID 114864304) is N-[[2-(2-bromophenyl)sulfanyl-5-chlorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-bromophenyl)sulfanyl-5-chlorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-bromophenyl)sulfanyl-5-chlorophenyl]methyl]ethanamine is CCNCc1cc(Cl)ccc1Sc1ccccc1Br.
What is the InChIKey of N-[[2-(2-bromophenyl)sulfanyl-5-chlorophenyl]methyl]ethanamine?
The InChIKey is YWQUQNTXAJACOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNS/c1-2-18-10-11-9-12(17)7-8-14(11)19-15-6-4-3-5-13(15)16/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[[2-(2-bromophenyl)sulfanyl-5-chlorophenyl]methyl]ethanamine?
N-[[2-(2-bromophenyl)sulfanyl-5-chlorophenyl]methyl]ethanamine has a molecular weight of 356.72 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromophenyl)sulfanyl-5-chlorophenyl]methyl]ethanamine is sourced from PubChem (CID 114864304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).