2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine

C13H12BrCl2NS — CID 103407295

IUPAC2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
SMILESCc1csc(C(N)Cc2ccc(Br)cc2Cl)c1Cl
InChIInChI=1S/C13H12BrCl2NS/c1-7-6-18-13(12(7)16)11(17)4-8-2-3-9(14)5-10(8)15/h2-3,5-6,11H,4,17H2,1H3
InChIKeyRYKZMSWHMXNIAA-UHFFFAOYSA-N
MW365.12 g/mol
LogP5.37
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine

2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine (PubChem CID 103407295) has the molecular formula C13H12BrCl2NS and a molecular weight of 365.12 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
PubChem CID103407295
Molecular FormulaC13H12BrCl2NS
Molecular Weight365.12 g/mol
Exact Mass362.93
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
SMILESCc1csc(C(N)Cc2ccc(Br)cc2Cl)c1Cl
InChIInChI=1S/C13H12BrCl2NS/c1-7-6-18-13(12(7)16)11(17)4-8-2-3-9(14)5-10(8)15/h2-3,5-6,11H,4,17H2,1H3
InChIKeyRYKZMSWHMXNIAA-UHFFFAOYSA-N
XLogP5.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.12
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 106867685
2-(5-bromo-2-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 103405565
2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine
CID 105038039
2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105038016
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
2-(4-bromo-2-chlorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
CID 105181669
1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine
CID 103402392
1-(3-chloro-4-methylthiophen-2-yl)-2-naphthalen-2-ylethanamine
CID 103402254
2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
CID 106693067
2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 113471264
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine
CID 113471237

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine (CID 103407295) is 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine is Cc1csc(C(N)Cc2ccc(Br)cc2Cl)c1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine?
The InChIKey is RYKZMSWHMXNIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrCl2NS/c1-7-6-18-13(12(7)16)11(17)4-8-2-3-9(14)5-10(8)15/h2-3,5-6,11H,4,17H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine?
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine has a molecular weight of 365.12 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 103407295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).