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

C16H19Br2NS — CID 79448483

IUPAC2-(2-bromophenyl)-3-(3-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1sccc1Br)c1ccccc1Br
InChIInChI=1S/C16H19Br2NS/c1-11(2)19-10-12(9-16-15(18)7-8-20-16)13-5-3-4-6-14(13)17/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeySQRCUYJZJYFAIE-UHFFFAOYSA-N
MW417.21 g/mol
LogP5.60
Rot. Bonds6

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

2-(2-bromophenyl)-3-(3-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 79448483) has the molecular formula C16H19Br2NS and a molecular weight of 417.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(3-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(3-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine
PubChem CID79448483
Molecular FormulaC16H19Br2NS
Molecular Weight417.21 g/mol
Exact Mass414.96
IUPAC Name2-(2-bromophenyl)-3-(3-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1sccc1Br)c1ccccc1Br
InChIInChI=1S/C16H19Br2NS/c1-11(2)19-10-12(9-16-15(18)7-8-20-16)13-5-3-4-6-14(13)17/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeySQRCUYJZJYFAIE-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

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Related Compounds

2-(2-bromophenyl)-5-methyl-N-propan-2-ylhexan-1-amine
CID 79449223
3-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 79436792
2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-propan-2-ylpropan-1-amine
CID 63523324
2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine
CID 115849010
3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 65431914
1-(2-bromophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950547
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63085065
N-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024242
2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 63521959
3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 62528495
(1R)-N-[(3-bromothiophen-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81387303
N-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine
CID 79448721

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(3-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-3-(3-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine (CID 79448483) is 2-(2-bromophenyl)-3-(3-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-3-(3-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-3-(3-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine is CC(C)NCC(Cc1sccc1Br)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-(3-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is SQRCUYJZJYFAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Br2NS/c1-11(2)19-10-12(9-16-15(18)7-8-20-16)13-5-3-4-6-14(13)17/h3-8,11-12,19H,9-10H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-3-(3-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine?
2-(2-bromophenyl)-3-(3-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-(2-bromophenyl)-3-(3-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79448483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).