6-bromo-N-(2-methylpropoxy)-3,4-dihydro-2H-chromen-4-amine

C13H18BrNO2 — CID 82709942

IUPAC6-bromo-N-(2-methylpropoxy)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)CONC1CCOc2ccc(Br)cc21
InChIInChI=1S/C13H18BrNO2/c1-9(2)8-17-15-12-5-6-16-13-4-3-10(14)7-11(12)13/h3-4,7,9,12,15H,5-6,8H2,1-2H3
InChIKeyVKMRCUMXBHCUKL-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.45
Rot. Bonds4

About 6-bromo-N-(2-methylpropoxy)-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-(2-methylpropoxy)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82709942) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 6-bromo-N-(2-methylpropoxy)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-(2-methylpropoxy)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82709942
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name6-bromo-N-(2-methylpropoxy)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)CONC1CCOc2ccc(Br)cc21
InChIInChI=1S/C13H18BrNO2/c1-9(2)8-17-15-12-5-6-16-13-4-3-10(14)7-11(12)13/h3-4,7,9,12,15H,5-6,8H2,1-2H3
InChIKeyVKMRCUMXBHCUKL-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-bromo-N-(2-methylpropoxy)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 82711404
6-bromo-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43758418
3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 81338825
6-bromo-N-(4-methoxybutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 64602781
6-bromo-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104827910
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115405791
6-bromo-N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 103779343
2-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 115920100
6-bromo-N-tert-butylsulfanyl-3,4-dihydro-2H-chromen-4-amine
CID 166094073
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
CID 79090045
6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43787895

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methylpropoxy)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-(2-methylpropoxy)-3,4-dihydro-2H-chromen-4-amine (CID 82709942) is 6-bromo-N-(2-methylpropoxy)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-(2-methylpropoxy)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-(2-methylpropoxy)-3,4-dihydro-2H-chromen-4-amine is CC(C)CONC1CCOc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-(2-methylpropoxy)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VKMRCUMXBHCUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-9(2)8-17-15-12-5-6-16-13-4-3-10(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-(2-methylpropoxy)-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-(2-methylpropoxy)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 300.20 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methylpropoxy)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82709942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).