1-(4,5-dibromothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanamine

C14H15Br2NS — CID 80533040

IUPAC1-(4,5-dibromothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(CC(N)c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C14H15Br2NS/c1-8-3-4-9(2)10(5-8)6-12(17)13-7-11(15)14(16)18-13/h3-5,7,12H,6,17H2,1-2H3
InChIKeyMPRVGDXXMVYIDF-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.13
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanamine

1-(4,5-dibromothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanamine (PubChem CID 80533040) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanamine
PubChem CID80533040
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC Name1-(4,5-dibromothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(CC(N)c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C14H15Br2NS/c1-8-3-4-9(2)10(5-8)6-12(17)13-7-11(15)14(16)18-13/h3-5,7,12H,6,17H2,1-2H3
InChIKeyMPRVGDXXMVYIDF-UHFFFAOYSA-N
XLogP5.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine
CID 107312305
2-(4-bromo-2-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 115844464
2-(2,5-dimethylphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 63527279
2-(2,5-dimethylphenyl)-1-(thiadiazol-5-yl)ethanamine
CID 105101119
1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine
CID 80536710
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 80532924
1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 114559956
(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine
CID 131013810
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 105398473
(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
CID 171235173
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine
CID 105040397

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanamine (CID 80533040) is 1-(4,5-dibromothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanamine is Cc1ccc(C)c(CC(N)c2cc(Br)c(Br)s2)c1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanamine?
The InChIKey is MPRVGDXXMVYIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-8-3-4-9(2)10(5-8)6-12(17)13-7-11(15)14(16)18-13/h3-5,7,12H,6,17H2,1-2H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanamine?
1-(4,5-dibromothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanamine has a molecular weight of 389.16 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 80533040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).