2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine

C13H13BrClNS — CID 105038016

IUPAC2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(Br)cc2Cl)s1
InChIInChI=1S/C13H13BrClNS/c1-8-2-5-13(17-8)12(16)6-9-3-4-10(14)7-11(9)15/h2-5,7,12H,6,16H2,1H3
InChIKeyHNTJEHGBWNDGEP-UHFFFAOYSA-N
MW330.68 g/mol
LogP4.71
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine

2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 105038016) has the molecular formula C13H13BrClNS and a molecular weight of 330.68 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID105038016
Molecular FormulaC13H13BrClNS
Molecular Weight330.68 g/mol
Exact Mass328.96
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(Br)cc2Cl)s1
InChIInChI=1S/C13H13BrClNS/c1-8-2-5-13(17-8)12(16)6-9-3-4-10(14)7-11(9)15/h2-5,7,12H,6,16H2,1H3
InChIKeyHNTJEHGBWNDGEP-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.68
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 103407295
2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine
CID 113471237
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-methylthiophene
CID 63435870
2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
CID 106693067
2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine
CID 105038039
2-(4-bromo-2-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 105037851
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
2-(4-bromo-2-chlorophenyl)-1-(3,5-dimethoxyphenyl)ethanamine
CID 105037979
2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 105038050
2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol
CID 65148086
4-bromo-2-chloro-1-(2-chloropropyl)benzene
CID 130480423

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine (CID 105038016) is 2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(N)Cc2ccc(Br)cc2Cl)s1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is HNTJEHGBWNDGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS/c1-8-2-5-13(17-8)12(16)6-9-3-4-10(14)7-11(9)15/h2-5,7,12H,6,16H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine?
2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 330.68 g/mol, XLogP of 4.71, 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-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 105038016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).