6-bromo-N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine

C16H22BrNO2 — CID 103779343

IUPAC6-bromo-N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCC(NC1CCOc2ccc(Br)cc21)C1CCOCC1
InChIInChI=1S/C16H22BrNO2/c1-11(12-4-7-19-8-5-12)18-15-6-9-20-16-3-2-13(17)10-14(15)16/h2-3,10-12,15,18H,4-9H2,1H3
InChIKeySWONALFDEKPHRX-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.68
Rot. Bonds3

About 6-bromo-N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103779343) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 6-bromo-N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID103779343
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name6-bromo-N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCC(NC1CCOc2ccc(Br)cc21)C1CCOCC1
InChIInChI=1S/C16H22BrNO2/c1-11(12-4-7-19-8-5-12)18-15-6-9-20-16-3-2-13(17)10-14(15)16/h2-3,10-12,15,18H,4-9H2,1H3
InChIKeySWONALFDEKPHRX-UHFFFAOYSA-N
XLogP3.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104827910
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-(2-methylpropoxy)-3,4-dihydro-2H-chromen-4-amine
CID 82709942
6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115405791
6-bromo-N-[(1R)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81407322
6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107597702
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
6-bromo-N-[(5-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 54900398
6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43787895
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-(oxan-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine (CID 103779343) is 6-bromo-N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine is CC(NC1CCOc2ccc(Br)cc21)C1CCOCC1.
What is the InChIKey of 6-bromo-N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is SWONALFDEKPHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-11(12-4-7-19-8-5-12)18-15-6-9-20-16-3-2-13(17)10-14(15)16/h2-3,10-12,15,18H,4-9H2,1H3.
What are the key properties of 6-bromo-N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 340.26 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103779343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).