N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine

C13H16BrNO — CID 106701421

IUPACN-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESC=C(Br)CNC1c2ccccc2OC1(C)C
InChIInChI=1S/C13H16BrNO/c1-9(14)8-15-12-10-6-4-5-7-11(10)16-13(12,2)3/h4-7,12,15H,1,8H2,2-3H3
InChIKeyXFFFBGRUVQNESM-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.40
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine

N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine (PubChem CID 106701421) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
PubChem CID106701421
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC NameN-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESC=C(Br)CNC1c2ccccc2OC1(C)C
InChIInChI=1S/C13H16BrNO/c1-9(14)8-15-12-10-6-4-5-7-11(10)16-13(12,2)3/h4-7,12,15H,1,8H2,2-3H3
InChIKeyXFFFBGRUVQNESM-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide
CID 106700860
N-tert-butyl-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]acetamide
CID 106701339
6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol
CID 107849705
2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol
CID 106701232
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120
2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine
CID 106701422
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-ethylethanesulfonamide
CID 106334729
2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine
CID 106701264
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol
CID 106700871
3-[2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]ethylsulfanyl]propan-1-ol
CID 106309576
2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701284

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine (CID 106701421) is N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine is C=C(Br)CNC1c2ccccc2OC1(C)C.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The InChIKey is XFFFBGRUVQNESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-9(14)8-15-12-10-6-4-5-7-11(10)16-13(12,2)3/h4-7,12,15H,1,8H2,2-3H3.
What are the key properties of N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine has a molecular weight of 282.18 g/mol, XLogP of 3.40, 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)-2,2-dimethyl-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106701421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).