1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine

C16H19BrN2S — CID 66055509

IUPAC1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine
SMILESCCNC(CSc1ccc(Br)cc1)Cc1ccccn1
InChIInChI=1S/C16H19BrN2S/c1-2-18-15(11-14-5-3-4-10-19-14)12-20-16-8-6-13(17)7-9-16/h3-10,15,18H,2,11-12H2,1H3
InChIKeyCHOHXODQSDFNBI-UHFFFAOYSA-N
MW351.31 g/mol
LogP4.16
Rot. Bonds7

About 1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine

1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine (PubChem CID 66055509) has the molecular formula C16H19BrN2S and a molecular weight of 351.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine
PubChem CID66055509
Molecular FormulaC16H19BrN2S
Molecular Weight351.31 g/mol
Exact Mass350.05
IUPAC Name1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine
SMILESCCNC(CSc1ccc(Br)cc1)Cc1ccccn1
InChIInChI=1S/C16H19BrN2S/c1-2-18-15(11-14-5-3-4-10-19-14)12-20-16-8-6-13(17)7-9-16/h3-10,15,18H,2,11-12H2,1H3
InChIKeyCHOHXODQSDFNBI-UHFFFAOYSA-N
XLogP4.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine (CID 66055509) is 1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine is CCNC(CSc1ccc(Br)cc1)Cc1ccccn1.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine?
The InChIKey is CHOHXODQSDFNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2S/c1-2-18-15(11-14-5-3-4-10-19-14)12-20-16-8-6-13(17)7-9-16/h3-10,15,18H,2,11-12H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine?
1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine has a molecular weight of 351.31 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 66055509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).