6-bromo-N-ethyl-8-methyl-3,4-dihydro-2H-chromen-4-amine

C12H16BrNO — CID 63213338

IUPAC6-bromo-N-ethyl-8-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CCOc2c(C)cc(Br)cc21
InChIInChI=1S/C12H16BrNO/c1-3-14-11-4-5-15-12-8(2)6-9(13)7-10(11)12/h6-7,11,14H,3-5H2,1-2H3
InChIKeyKIVAEHJZDLPDKG-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.19
Rot. Bonds2

About 6-bromo-N-ethyl-8-methyl-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-ethyl-8-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 63213338) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 6-bromo-N-ethyl-8-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-ethyl-8-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID63213338
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name6-bromo-N-ethyl-8-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CCOc2c(C)cc(Br)cc21
InChIInChI=1S/C12H16BrNO/c1-3-14-11-4-5-15-12-8(2)6-9(13)7-10(11)12/h6-7,11,14H,3-5H2,1-2H3
InChIKeyKIVAEHJZDLPDKG-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-8-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-ethyl-8-methyl-3,4-dihydro-2H-chromen-4-amine (CID 63213338) is 6-bromo-N-ethyl-8-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-ethyl-8-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-ethyl-8-methyl-3,4-dihydro-2H-chromen-4-amine is CCNC1CCOc2c(C)cc(Br)cc21.
What is the InChIKey of 6-bromo-N-ethyl-8-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is KIVAEHJZDLPDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-3-14-11-4-5-15-12-8(2)6-9(13)7-10(11)12/h6-7,11,14H,3-5H2,1-2H3.
What are the key properties of 6-bromo-N-ethyl-8-methyl-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-ethyl-8-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 270.17 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethyl-8-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 63213338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).