(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine

C12H11Cl2NO — CID 114375491

IUPAC(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine
SMILESNCc1oc2c(Cl)c(Cl)ccc2c1C1CC1
InChIInChI=1S/C12H11Cl2NO/c13-8-4-3-7-10(6-1-2-6)9(5-15)16-12(7)11(8)14/h3-4,6H,1-2,5,15H2
InChIKeyULINKSGCCXDMIM-UHFFFAOYSA-N
MW256.13 g/mol
LogP4.08
Rot. Bonds2

About (6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine

(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine (PubChem CID 114375491) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is (6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine
PubChem CID114375491
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine
SMILESNCc1oc2c(Cl)c(Cl)ccc2c1C1CC1
InChIInChI=1S/C12H11Cl2NO/c13-8-4-3-7-10(6-1-2-6)9(5-15)16-12(7)11(8)14/h3-4,6H,1-2,5,15H2
InChIKeyULINKSGCCXDMIM-UHFFFAOYSA-N
XLogP4.08
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine (CID 114375491) is (6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine is NCc1oc2c(Cl)c(Cl)ccc2c1C1CC1.
What is the InChIKey of (6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine?
The InChIKey is ULINKSGCCXDMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c13-8-4-3-7-10(6-1-2-6)9(5-15)16-12(7)11(8)14/h3-4,6H,1-2,5,15H2.
What are the key properties of (6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine?
(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine has a molecular weight of 256.13 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114375491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).