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

C13H18BrNO — CID 63213374

IUPAC6-bromo-8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CCOc2c(C)cc(Br)cc21
InChIInChI=1S/C13H18BrNO/c1-3-5-15-12-4-6-16-13-9(2)7-10(14)8-11(12)13/h7-8,12,15H,3-6H2,1-2H3
InChIKeyFVGWDIJSOJYJRP-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.58
Rot. Bonds3

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

6-bromo-8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 63213374) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 6-bromo-8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID63213374
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name6-bromo-8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CCOc2c(C)cc(Br)cc21
InChIInChI=1S/C13H18BrNO/c1-3-5-15-12-4-6-16-13-9(2)7-10(14)8-11(12)13/h7-8,12,15H,3-6H2,1-2H3
InChIKeyFVGWDIJSOJYJRP-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine (CID 63213374) is 6-bromo-8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine is CCCNC1CCOc2c(C)cc(Br)cc21.
What is the InChIKey of 6-bromo-8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is FVGWDIJSOJYJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-3-5-15-12-4-6-16-13-9(2)7-10(14)8-11(12)13/h7-8,12,15H,3-6H2,1-2H3.
What are the key properties of 6-bromo-8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
6-bromo-8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 284.20 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 63213374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).