5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine

C11H13Br2NO — CID 64719068

IUPAC5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)NC1COc2c(Br)cc(Br)cc21
InChIInChI=1S/C11H13Br2NO/c1-6(2)14-10-5-15-11-8(10)3-7(12)4-9(11)13/h3-4,6,10,14H,5H2,1-2H3
InChIKeyMIXATICUQVIPJA-UHFFFAOYSA-N
MW335.04 g/mol
LogP3.64
Rot. Bonds2

About 5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine

5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 64719068) has the molecular formula C11H13Br2NO and a molecular weight of 335.04 g/mol. Its IUPAC name is 5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID64719068
Molecular FormulaC11H13Br2NO
Molecular Weight335.04 g/mol
Exact Mass332.94
IUPAC Name5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)NC1COc2c(Br)cc(Br)cc21
InChIInChI=1S/C11H13Br2NO/c1-6(2)14-10-5-15-11-8(10)3-7(12)4-9(11)13/h3-4,6,10,14H,5H2,1-2H3
InChIKeyMIXATICUQVIPJA-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.04
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-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

7-bromo-5-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43512238
5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 64719518
6,8-dibromo-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64719069
4-bromo-6,7-difluoro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 107100730
5-bromo-4,7-dichloro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 107659790
5-bromo-N-methoxy-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 115402549
7,9-dibromo-N-ethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 64720631
7-iodo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43512732
7-bromo-5-methoxy-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 104831059
9-bromo-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512414
5-bromo-N-cyclopropyl-7-fluoro-2,3-dihydro-1-benzofuran-3-amine
CID 43512253
5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43511932

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine (CID 64719068) is 5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine is CC(C)NC1COc2c(Br)cc(Br)cc21.
What is the InChIKey of 5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is MIXATICUQVIPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO/c1-6(2)14-10-5-15-11-8(10)3-7(12)4-9(11)13/h3-4,6,10,14H,5H2,1-2H3.
What are the key properties of 5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 335.04 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 64719068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).