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

C17H19Br2NS — CID 66161199

IUPAC1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine
SMILESCCNC(CSc1cccc(Br)c1)Cc1cccc(Br)c1
InChIInChI=1S/C17H19Br2NS/c1-2-20-16(10-13-5-3-6-14(18)9-13)12-21-17-8-4-7-15(19)11-17/h3-9,11,16,20H,2,10,12H2,1H3
InChIKeyBLWHHLUUCSGBDU-UHFFFAOYSA-N
MW429.22 g/mol
LogP5.52
Rot. Bonds7

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

1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine (PubChem CID 66161199) has the molecular formula C17H19Br2NS and a molecular weight of 429.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine
PubChem CID66161199
Molecular FormulaC17H19Br2NS
Molecular Weight429.22 g/mol
Exact Mass426.96
IUPAC Name1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine
SMILESCCNC(CSc1cccc(Br)c1)Cc1cccc(Br)c1
InChIInChI=1S/C17H19Br2NS/c1-2-20-16(10-13-5-3-6-14(18)9-13)12-21-17-8-4-7-15(19)11-17/h3-9,11,16,20H,2,10,12H2,1H3
InChIKeyBLWHHLUUCSGBDU-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

1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine
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1-(3-bromophenyl)sulfanyl-N-ethyldecan-2-amine
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1-(3-bromophenyl)sulfanyl-N-ethylhept-5-yn-2-amine
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1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 65140515
N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087202
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
CID 63413718
1-(3-bromophenyl)-N-ethyloctan-2-amine
CID 63413493
1-(3-bromophenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
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1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551546
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CID 61372893

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine (CID 66161199) is 1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine is CCNC(CSc1cccc(Br)c1)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine?
The InChIKey is BLWHHLUUCSGBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NS/c1-2-20-16(10-13-5-3-6-14(18)9-13)12-21-17-8-4-7-15(19)11-17/h3-9,11,16,20H,2,10,12H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine?
1-(3-bromophenyl)-3-(3-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-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine is sourced from PubChem (CID 66161199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).