N-(2-bromoprop-2-enyl)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine

C13H18BrNO — CID 115717196

IUPACN-(2-bromoprop-2-enyl)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESC=C(Br)CNC1CC(C)(C)Cc2occc21
InChIInChI=1S/C13H18BrNO/c1-9(14)8-15-11-6-13(2,3)7-12-10(11)4-5-16-12/h4-5,11,15H,1,6-8H2,2-3H3
InChIKeyWBQKHECBOUDFAV-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.79
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine

N-(2-bromoprop-2-enyl)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine (PubChem CID 115717196) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
PubChem CID115717196
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-(2-bromoprop-2-enyl)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESC=C(Br)CNC1CC(C)(C)Cc2occc21
InChIInChI=1S/C13H18BrNO/c1-9(14)8-15-11-6-13(2,3)7-12-10(11)4-5-16-12/h4-5,11,15H,1,6-8H2,2-3H3
InChIKeyWBQKHECBOUDFAV-UHFFFAOYSA-N
XLogP3.79
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromoprop-2-enyl)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine with MolForge

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Related Compounds

(2S)-1-[(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]propan-2-ol
CID 103906554
(1R)-2-[[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]amino]-1-(4-methoxyphenyl)ethanol
CID 97321724
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
CID 75468983
N-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-3-nitrobenzamide
CID 4861057
6,6-dimethyl-N-[[(2R,5S)-5-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]-5,7-dihydro-4H-1-benzofuran-4-amine
CID 154784126
2-bromo-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)furan-3-carboxamide
CID 106853310
N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701421
N-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide
CID 115466077
N-(2-bromoprop-2-enyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 115717310
N-(2,4,4-trimethylcyclopentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 106661736
3-(2-bromoprop-2-enylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 113429324
N-[(3-bromothiophen-2-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
CID 115380077

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine (CID 115717196) is N-(2-bromoprop-2-enyl)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine is C=C(Br)CNC1CC(C)(C)Cc2occc21.
What is the InChIKey of N-(2-bromoprop-2-enyl)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
The InChIKey is WBQKHECBOUDFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9(14)8-15-11-6-13(2,3)7-12-10(11)4-5-16-12/h4-5,11,15H,1,6-8H2,2-3H3.
What are the key properties of N-(2-bromoprop-2-enyl)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
N-(2-bromoprop-2-enyl)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine has a molecular weight of 284.20 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine is sourced from PubChem (CID 115717196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).