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

C12H16BrNO — CID 43512238

IUPAC7-bromo-5-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
SMILESCc1cc(Br)c2c(c1)C(NC(C)C)CO2
InChIInChI=1S/C12H16BrNO/c1-7(2)14-11-6-15-12-9(11)4-8(3)5-10(12)13/h4-5,7,11,14H,6H2,1-3H3
InChIKeyGZXFDZLNCGJRKV-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.19
Rot. Bonds2

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

7-bromo-5-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 43512238) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 7-bromo-5-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-bromo-5-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID43512238
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name7-bromo-5-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
SMILESCc1cc(Br)c2c(c1)C(NC(C)C)CO2
InChIInChI=1S/C12H16BrNO/c1-7(2)14-11-6-15-12-9(11)4-8(3)5-10(12)13/h4-5,7,11,14H,6H2,1-3H3
InChIKeyGZXFDZLNCGJRKV-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-bromo-5-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine (CID 43512238) is 7-bromo-5-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-bromo-5-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-bromo-5-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine is Cc1cc(Br)c2c(c1)C(NC(C)C)CO2.
What is the InChIKey of 7-bromo-5-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is GZXFDZLNCGJRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-7(2)14-11-6-15-12-9(11)4-8(3)5-10(12)13/h4-5,7,11,14H,6H2,1-3H3.
What are the key properties of 7-bromo-5-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
7-bromo-5-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 270.17 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 43512238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).