2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine

C12H11Br2NS — CID 105089162

IUPAC2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1csc(Br)c1
InChIInChI=1S/C12H11Br2NS/c13-10-3-1-8(2-4-10)5-11(15)9-6-12(14)16-7-9/h1-4,6-7,11H,5,15H2
InChIKeyDWZXQEFWVNSNCU-UHFFFAOYSA-N
MW361.10 g/mol
LogP4.52
Rot. Bonds3

About 2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine

2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine (PubChem CID 105089162) has the molecular formula C12H11Br2NS and a molecular weight of 361.10 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine
PubChem CID105089162
Molecular FormulaC12H11Br2NS
Molecular Weight361.10 g/mol
Exact Mass358.90
IUPAC Name2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1csc(Br)c1
InChIInChI=1S/C12H11Br2NS/c13-10-3-1-8(2-4-10)5-11(15)9-6-12(14)16-7-9/h1-4,6-7,11H,5,15H2
InChIKeyDWZXQEFWVNSNCU-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.10
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine
CID 105151941
2-bromo-4-[2-(4-bromophenyl)-1-chloroethyl]thiophene
CID 107965739
1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine
CID 105095905
1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 105091201
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105089055
2-(4-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 24697978
2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 80532924
1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine
CID 105158058
1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine
CID 81471892
1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine
CID 105137743
2-(4-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 43106267
2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43109357

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine (CID 105089162) is 2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine is NC(Cc1ccc(Br)cc1)c1csc(Br)c1.
What is the InChIKey of 2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine?
The InChIKey is DWZXQEFWVNSNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NS/c13-10-3-1-8(2-4-10)5-11(15)9-6-12(14)16-7-9/h1-4,6-7,11H,5,15H2.
What are the key properties of 2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine?
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine has a molecular weight of 361.10 g/mol, XLogP of 4.52, 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-bromothiophen-3-yl)ethanamine is sourced from PubChem (CID 105089162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).