1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine

C16H19Br2NS — CID 107968162

IUPAC1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)c1cc(Br)sc1Br
InChIInChI=1S/C16H19Br2NS/c1-10(2)12-6-4-11(5-7-12)8-14(19-3)13-9-15(17)20-16(13)18/h4-7,9-10,14,19H,8H2,1-3H3
InChIKeyYNZKXPORHXFGQY-UHFFFAOYSA-N
MW417.21 g/mol
LogP5.90
Rot. Bonds5

About 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine

1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 107968162) has the molecular formula C16H19Br2NS and a molecular weight of 417.21 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID107968162
Molecular FormulaC16H19Br2NS
Molecular Weight417.21 g/mol
Exact Mass414.96
IUPAC Name1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)c1cc(Br)sc1Br
InChIInChI=1S/C16H19Br2NS/c1-10(2)12-6-4-11(5-7-12)8-14(19-3)13-9-15(17)20-16(13)18/h4-7,9-10,14,19H,8H2,1-3H3
InChIKeyYNZKXPORHXFGQY-UHFFFAOYSA-N
XLogP5.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.21
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43486882
1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine
CID 107968943
1-(2,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844386
1-(2,5-dibromothiophen-3-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 107968086
1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107974526
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 114906488
2-(4-chlorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
CID 43493168
1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 107968131
1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 106857333
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 107968090
(2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine
CID 107960519
1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107952774

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine (CID 107968162) is 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine is CNC(Cc1ccc(C(C)C)cc1)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is YNZKXPORHXFGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Br2NS/c1-10(2)12-6-4-11(5-7-12)8-14(19-3)13-9-15(17)20-16(13)18/h4-7,9-10,14,19H,8H2,1-3H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 417.21 g/mol, XLogP of 5.90, 5 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)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 107968162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).