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

C12H11Br2NS — CID 79595826

IUPAC1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)ethanamine
SMILESCC(N)(c1cccc(Br)c1)c1cscc1Br
InChIInChI=1S/C12H11Br2NS/c1-12(15,10-6-16-7-11(10)14)8-3-2-4-9(13)5-8/h2-7H,15H2,1H3
InChIKeyVUCVLHDXSASYLF-UHFFFAOYSA-N
MW361.10 g/mol
LogP4.50
Rot. Bonds2

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

1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)ethanamine (PubChem CID 79595826) has the molecular formula C12H11Br2NS and a molecular weight of 361.10 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)ethanamine
PubChem CID79595826
Molecular FormulaC12H11Br2NS
Molecular Weight361.10 g/mol
Exact Mass358.90
IUPAC Name1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)ethanamine
SMILESCC(N)(c1cccc(Br)c1)c1cscc1Br
InChIInChI=1S/C12H11Br2NS/c1-12(15,10-6-16-7-11(10)14)8-3-2-4-9(13)5-8/h2-7H,15H2,1H3
InChIKeyVUCVLHDXSASYLF-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.10
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-3-yl)-1-(3-methylphenyl)ethanamine
CID 79595390
1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine
CID 54919280
1-(4-bromothiophen-3-yl)-1-(2-chlorophenyl)ethanamine
CID 79595717
1-(3-bromo-2,6-difluorophenyl)-1-(3-bromophenyl)ethanamine
CID 106941571
1-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114743837
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine
CID 104659021
1-(3-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 55165628
3-(3-bromophenyl)-3-methylbutan-2-amine
CID 83693037
1-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62787298
2-(4-bromothiophen-3-yl)butan-2-amine
CID 79596152
1-bromo-3-(2-isocyanopropan-2-yl)benzene
CID 58883473

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)ethanamine?
The IUPAC name of 1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)ethanamine (CID 79595826) is 1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)ethanamine is CC(N)(c1cccc(Br)c1)c1cscc1Br.
What is the InChIKey of 1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)ethanamine?
The InChIKey is VUCVLHDXSASYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NS/c1-12(15,10-6-16-7-11(10)14)8-3-2-4-9(13)5-8/h2-7H,15H2,1H3.
What are the key properties of 1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)ethanamine?
1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)ethanamine has a molecular weight of 361.10 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)ethanamine is sourced from PubChem (CID 79595826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).