2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine

C14H12BrCl2NS — CID 66159806

IUPAC2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine
SMILESNC(CSc1cccc(Br)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12BrCl2NS/c15-9-2-1-3-11(6-9)19-8-14(18)12-7-10(16)4-5-13(12)17/h1-7,14H,8,18H2
InChIKeyWHHXKGWRNOHUFB-UHFFFAOYSA-N
MW377.13 g/mol
LogP5.55
Rot. Bonds4

About 2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine

2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine (PubChem CID 66159806) has the molecular formula C14H12BrCl2NS and a molecular weight of 377.13 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine
PubChem CID66159806
Molecular FormulaC14H12BrCl2NS
Molecular Weight377.13 g/mol
Exact Mass374.93
IUPAC Name2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine
SMILESNC(CSc1cccc(Br)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12BrCl2NS/c15-9-2-1-3-11(6-9)19-8-14(18)12-7-10(16)4-5-13(12)17/h1-7,14H,8,18H2
InChIKeyWHHXKGWRNOHUFB-UHFFFAOYSA-N
XLogP5.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.13
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine
CID 66160199
2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethanamine
CID 66160196
2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine
CID 66160984
2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63412142
1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol
CID 66160238
2-(3-bromophenyl)sulfanyl-1-(4-chloro-3-methoxyphenyl)ethanamine
CID 79699921
2-(3-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanamine
CID 66161377
2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine
CID 64634951
2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine
CID 66148494
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine
CID 106762672
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 66158625
2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine
CID 66160002

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine (CID 66159806) is 2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine is NC(CSc1cccc(Br)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine?
The InChIKey is WHHXKGWRNOHUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NS/c15-9-2-1-3-11(6-9)19-8-14(18)12-7-10(16)4-5-13(12)17/h1-7,14H,8,18H2.
What are the key properties of 2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine?
2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine has a molecular weight of 377.13 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine is sourced from PubChem (CID 66159806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).