6-bromo-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine

C13H18BrNO2 — CID 43758418

IUPAC6-bromo-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOCC(C)NC1CCOc2ccc(Br)cc21
InChIInChI=1S/C13H18BrNO2/c1-9(8-16-2)15-12-5-6-17-13-4-3-10(14)7-11(12)13/h3-4,7,9,12,15H,5-6,8H2,1-2H3
InChIKeyZTEWSUXDWGXYRJ-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.90
Rot. Bonds4

About 6-bromo-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43758418) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 6-bromo-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43758418
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name6-bromo-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOCC(C)NC1CCOc2ccc(Br)cc21
InChIInChI=1S/C13H18BrNO2/c1-9(8-16-2)15-12-5-6-17-13-4-3-10(14)7-11(12)13/h3-4,7,9,12,15H,5-6,8H2,1-2H3
InChIKeyZTEWSUXDWGXYRJ-UHFFFAOYSA-N
XLogP2.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(4-methoxybutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 64602781
3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 81338825
6-bromo-N-(2-methylpropoxy)-3,4-dihydro-2H-chromen-4-amine
CID 82709942
6-bromo-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104827910
6-bromo-N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 103779343
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844836
6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115405791
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide
CID 86872157
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
6-bromo-N-[(1R)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81407322
6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43758423
6-bromo-N-tert-butylsulfanyl-3,4-dihydro-2H-chromen-4-amine
CID 166094073

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine (CID 43758418) is 6-bromo-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine is COCC(C)NC1CCOc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZTEWSUXDWGXYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-9(8-16-2)15-12-5-6-17-13-4-3-10(14)7-11(12)13/h3-4,7,9,12,15H,5-6,8H2,1-2H3.
What are the key properties of 6-bromo-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 300.20 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43758418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).