6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride

C10H13BrClNO — CID 75481757

IUPAC6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCNC1CCOc2ccc(Br)cc21.Cl
InChIInChI=1S/C10H12BrNO.ClH/c1-12-9-4-5-13-10-3-2-7(11)6-8(9)10;/h2-3,6,9,12H,4-5H2,1H3;1H
InChIKeyGBPWRGKBWYINKZ-UHFFFAOYSA-N
MW278.58 g/mol
LogP2.91
Rot. Bonds1

About 6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride

6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride (PubChem CID 75481757) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is 6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride.

Molecular Properties

Compound Name6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
PubChem CID75481757
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC Name6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCNC1CCOc2ccc(Br)cc21.Cl
InChIInChI=1S/C10H12BrNO.ClH/c1-12-9-4-5-13-10-3-2-7(11)6-8(9)10;/h2-3,6,9,12H,4-5H2,1H3;1H
InChIKeyGBPWRGKBWYINKZ-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The IUPAC name of 6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride (CID 75481757) is 6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride.
What is the SMILES notation for 6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The canonical SMILES for 6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride is CNC1CCOc2ccc(Br)cc21.Cl.
What is the InChIKey of 6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The InChIKey is GBPWRGKBWYINKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO.ClH/c1-12-9-4-5-13-10-3-2-7(11)6-8(9)10;/h2-3,6,9,12H,4-5H2,1H3;1H.
What are the key properties of 6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride has a molecular weight of 278.58 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride is sourced from PubChem (CID 75481757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).