2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine

C15H16BrNOS — CID 114712260

IUPAC2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2sccc2Br)Oc2ccccc21
InChIInChI=1S/C15H16BrNOS/c1-2-17-12-9-14(15-11(16)7-8-19-15)18-13-6-4-3-5-10(12)13/h3-8,12,14,17H,2,9H2,1H3
InChIKeyCMXOUDMFPSLNPV-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.68
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine

2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712260) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712260
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2sccc2Br)Oc2ccccc21
InChIInChI=1S/C15H16BrNOS/c1-2-17-12-9-14(15-11(16)7-8-19-15)18-13-6-4-3-5-10(12)13/h3-8,12,14,17H,2,9H2,1H3
InChIKeyCMXOUDMFPSLNPV-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine (CID 114712260) is 2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(c2sccc2Br)Oc2ccccc21.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is CMXOUDMFPSLNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-2-17-12-9-14(15-11(16)7-8-19-15)18-13-6-4-3-5-10(12)13/h3-8,12,14,17H,2,9H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 338.27 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).