1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine

C14H15Br2NS — CID 107967937

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(CC(N)c2cc(Br)sc2Br)c1
InChIInChI=1S/C14H15Br2NS/c1-8-3-9(2)5-10(4-8)6-12(17)11-7-13(15)18-14(11)16/h3-5,7,12H,6,17H2,1-2H3
InChIKeyUZHLHWNXPHQKQX-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.13
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine

1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine (PubChem CID 107967937) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine
PubChem CID107967937
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(CC(N)c2cc(Br)sc2Br)c1
InChIInChI=1S/C14H15Br2NS/c1-8-3-9(2)5-10(4-8)6-12(17)11-7-13(15)18-14(11)16/h3-5,7,12H,6,17H2,1-2H3
InChIKeyUZHLHWNXPHQKQX-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-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine
CID 107969352
1-(2,5-dibromothiophen-3-yl)-2-thiophen-3-ylethanamine
CID 107962803
1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)-N-ethylethanamine
CID 107967940
1-(2,5-dibromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 107968058
1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800850
(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107961099
1,2-bis(3,5-dimethylphenyl)ethanamine
CID 55096005
1-(2,5-dibromothiophen-3-yl)decan-1-amine
CID 65447630
2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 107968208
1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107969527
2-(2-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 114022096
1-(2-bromo-5-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 105098960

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine (CID 107967937) is 1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine is Cc1cc(C)cc(CC(N)c2cc(Br)sc2Br)c1.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine?
The InChIKey is UZHLHWNXPHQKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-8-3-9(2)5-10(4-8)6-12(17)11-7-13(15)18-14(11)16/h3-5,7,12H,6,17H2,1-2H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine?
1-(2,5-dibromothiophen-3-yl)-2-(3,5-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-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 107967937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).