2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine

C16H19Br2NS — CID 79443581

IUPAC2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1cc(Br)cs1)c1cccc(Br)c1
InChIInChI=1S/C16H19Br2NS/c1-11(2)19-9-13(7-16-8-15(18)10-20-16)12-4-3-5-14(17)6-12/h3-6,8,10-11,13,19H,7,9H2,1-2H3
InChIKeySVCPFMFGCJJBMW-UHFFFAOYSA-N
MW417.21 g/mol
LogP5.60
Rot. Bonds6

About 2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine

2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 79443581) has the molecular formula C16H19Br2NS and a molecular weight of 417.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine
PubChem CID79443581
Molecular FormulaC16H19Br2NS
Molecular Weight417.21 g/mol
Exact Mass414.96
IUPAC Name2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1cc(Br)cs1)c1cccc(Br)c1
InChIInChI=1S/C16H19Br2NS/c1-11(2)19-9-13(7-16-8-15(18)10-20-16)12-4-3-5-14(17)6-12/h3-6,8,10-11,13,19H,7,9H2,1-2H3
InChIKeySVCPFMFGCJJBMW-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.21
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine 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

N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine
CID 79430849
2-(3-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79442751
2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 79431151
N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 79432215
N-[3-(4-bromothiophen-2-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 65429324
4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015944
2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644220
2-(3-bromophenyl)-N-propan-2-yl-4-propylsulfonylbutan-1-amine
CID 106730210
2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 65430414
2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79433672
2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 79416846
3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 79422919

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine (CID 79443581) is 2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine is CC(C)NCC(Cc1cc(Br)cs1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is SVCPFMFGCJJBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Br2NS/c1-11(2)19-9-13(7-16-8-15(18)10-20-16)12-4-3-5-14(17)6-12/h3-6,8,10-11,13,19H,7,9H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine?
2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 417.21 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79443581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).