1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine

C17H19Br2NS — CID 66144284

IUPAC1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine
SMILESCCNC(CSc1ccccc1Br)Cc1ccccc1Br
InChIInChI=1S/C17H19Br2NS/c1-2-20-14(11-13-7-3-4-8-15(13)18)12-21-17-10-6-5-9-16(17)19/h3-10,14,20H,2,11-12H2,1H3
InChIKeyARUWGFQTNUFSCM-UHFFFAOYSA-N
MW429.22 g/mol
LogP5.52
Rot. Bonds7

About 1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine

1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine (PubChem CID 66144284) has the molecular formula C17H19Br2NS and a molecular weight of 429.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine
PubChem CID66144284
Molecular FormulaC17H19Br2NS
Molecular Weight429.22 g/mol
Exact Mass426.96
IUPAC Name1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine
SMILESCCNC(CSc1ccccc1Br)Cc1ccccc1Br
InChIInChI=1S/C17H19Br2NS/c1-2-20-14(11-13-7-3-4-8-15(13)18)12-21-17-10-6-5-9-16(17)19/h3-10,14,20H,2,11-12H2,1H3
InChIKeyARUWGFQTNUFSCM-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.22
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66143893
3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093309
1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
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CID 63419614
1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 66145246
1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
CID 103546390
1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64614328
1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
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1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105087369
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
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1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine
CID 63419613

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine (CID 66144284) is 1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine is CCNC(CSc1ccccc1Br)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine?
The InChIKey is ARUWGFQTNUFSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NS/c1-2-20-14(11-13-7-3-4-8-15(13)18)12-21-17-10-6-5-9-16(17)19/h3-10,14,20H,2,11-12H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine?
1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine has a molecular weight of 429.22 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine is sourced from PubChem (CID 66144284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).