1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine

C13H13Br2NS — CID 115848987

IUPAC1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine
SMILESCc1ccc(C(N)Cc2sccc2Br)cc1Br
InChIInChI=1S/C13H13Br2NS/c1-8-2-3-9(6-11(8)15)12(16)7-13-10(14)4-5-17-13/h2-6,12H,7,16H2,1H3
InChIKeyYDYZDVACMUHOQR-UHFFFAOYSA-N
MW375.13 g/mol
LogP4.82
Rot. Bonds3

About 1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine

1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine (PubChem CID 115848987) has the molecular formula C13H13Br2NS and a molecular weight of 375.13 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine
PubChem CID115848987
Molecular FormulaC13H13Br2NS
Molecular Weight375.13 g/mol
Exact Mass372.91
IUPAC Name1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine
SMILESCc1ccc(C(N)Cc2sccc2Br)cc1Br
InChIInChI=1S/C13H13Br2NS/c1-8-2-3-9(6-11(8)15)12(16)7-13-10(14)4-5-17-13/h2-6,12H,7,16H2,1H3
InChIKeyYDYZDVACMUHOQR-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.13
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115848840
2-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)ethanamine
CID 107974648
2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115849148
2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 114025057
1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine
CID 81471892
(1S)-1-(3-bromo-4-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 171203882
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
CID 66515083
2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804618
(3R)-3-amino-3-(3-bromo-4-methylphenyl)propanenitrile
CID 131026751
1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine
CID 81472195
2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 115849210
2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 65195436

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine (CID 115848987) is 1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine is Cc1ccc(C(N)Cc2sccc2Br)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine?
The InChIKey is YDYZDVACMUHOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NS/c1-8-2-3-9(6-11(8)15)12(16)7-13-10(14)4-5-17-13/h2-6,12H,7,16H2,1H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine?
1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine has a molecular weight of 375.13 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine is sourced from PubChem (CID 115848987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).