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

C15H22BrNO — CID 104827910

IUPAC6-bromo-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(NC1CCOc2ccc(Br)cc21)C(C)(C)C
InChIInChI=1S/C15H22BrNO/c1-10(15(2,3)4)17-13-7-8-18-14-6-5-11(16)9-12(13)14/h5-6,9-10,13,17H,7-8H2,1-4H3
InChIKeyDKNDOSCHGKKQMW-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.30
Rot. Bonds2

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

6-bromo-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104827910) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 6-bromo-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104827910
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name6-bromo-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(NC1CCOc2ccc(Br)cc21)C(C)(C)C
InChIInChI=1S/C15H22BrNO/c1-10(15(2,3)4)17-13-7-8-18-14-6-5-11(16)9-12(13)14/h5-6,9-10,13,17H,7-8H2,1-4H3
InChIKeyDKNDOSCHGKKQMW-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 103779343
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-tert-butylsulfanyl-3,4-dihydro-2H-chromen-4-amine
CID 166094073
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
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-methylpropane-2-sulfinamide;ethane
CID 159222106
6-bromo-N-[(1R)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81407322
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43787895
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
CID 79090045

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine (CID 104827910) is 6-bromo-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine is CC(NC1CCOc2ccc(Br)cc21)C(C)(C)C.
What is the InChIKey of 6-bromo-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DKNDOSCHGKKQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-10(15(2,3)4)17-13-7-8-18-14-6-5-11(16)9-12(13)14/h5-6,9-10,13,17H,7-8H2,1-4H3.
What are the key properties of 6-bromo-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 312.25 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104827910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).