6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine

C16H18BrNOS — CID 114713337

IUPAC6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2ccc(C)s2)Oc2ccc(Br)cc21
InChIInChI=1S/C16H18BrNOS/c1-3-18-13-9-15(16-7-4-10(2)20-16)19-14-6-5-11(17)8-12(13)14/h4-8,13,15,18H,3,9H2,1-2H3
InChIKeyRHGSBOADDLWOGI-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.99
Rot. Bonds3

About 6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114713337) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is 6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114713337
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC Name6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2ccc(C)s2)Oc2ccc(Br)cc21
InChIInChI=1S/C16H18BrNOS/c1-3-18-13-9-15(16-7-4-10(2)20-16)19-14-6-5-11(17)8-12(13)14/h4-8,13,15,18H,3,9H2,1-2H3
InChIKeyRHGSBOADDLWOGI-UHFFFAOYSA-N
XLogP4.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713455
6-bromo-N-ethyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713461
6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713398
6-bromo-2-(5-bromo-2-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713410
6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713385
2-(4-bromothiophen-2-yl)-N-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114710676
6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713390
6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713393
2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712293
6-bromo-2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846162
6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114711302
6-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 106676770

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine (CID 114713337) is 6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(c2ccc(C)s2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RHGSBOADDLWOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-3-18-13-9-15(16-7-4-10(2)20-16)19-14-6-5-11(17)8-12(13)14/h4-8,13,15,18H,3,9H2,1-2H3.
What are the key properties of 6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 352.30 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114713337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).