2-(4-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine

C13H13BrClNS — CID 102763560

IUPAC2-(4-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(Br)cc2)sc1Cl
InChIInChI=1S/C13H13BrClNS/c1-8-6-12(17-13(8)15)11(16)7-9-2-4-10(14)5-3-9/h2-6,11H,7,16H2,1H3
InChIKeyDMSHKYCQPOYQFL-UHFFFAOYSA-N
MW330.68 g/mol
LogP4.71
Rot. Bonds3

About 2-(4-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine

2-(4-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine (PubChem CID 102763560) has the molecular formula C13H13BrClNS and a molecular weight of 330.68 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine
PubChem CID102763560
Molecular FormulaC13H13BrClNS
Molecular Weight330.68 g/mol
Exact Mass328.96
IUPAC Name2-(4-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(Br)cc2)sc1Cl
InChIInChI=1S/C13H13BrClNS/c1-8-6-12(17-13(8)15)11(16)7-9-2-4-10(14)5-3-9/h2-6,11H,7,16H2,1H3
InChIKeyDMSHKYCQPOYQFL-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-(5-chloro-4-methylthiophen-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 102763454
1-(5-bromo-4-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanamine
CID 80530877
2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 80532924
2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 82883536
1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol
CID 102764589
(5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine
CID 114023515
2-(4-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 81323419
2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine
CID 81045980
1-(5-chloro-4-methylthiophen-2-yl)dodecan-1-amine
CID 102763389
3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene
CID 102836965
5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764936
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol
CID 102830220

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine (CID 102763560) is 2-(4-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine is Cc1cc(C(N)Cc2ccc(Br)cc2)sc1Cl.
What is the InChIKey of 2-(4-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine?
The InChIKey is DMSHKYCQPOYQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS/c1-8-6-12(17-13(8)15)11(16)7-9-2-4-10(14)5-3-9/h2-6,11H,7,16H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine?
2-(4-bromophenyl)-1-(5-chloro-4-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-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 102763560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).