6,7-dichloro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine

C14H19Cl2NO — CID 83049608

IUPAC6,7-dichloro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2ccc(Cl)c(Cl)c2OC1CCC
InChIInChI=1S/C14H19Cl2NO/c1-3-5-11-13(17-8-4-2)9-6-7-10(15)12(16)14(9)18-11/h6-7,11,13,17H,3-5,8H2,1-2H3
InChIKeySBSAWMWNUYFVNB-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.60
Rot. Bonds5

About 6,7-dichloro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine

6,7-dichloro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83049608) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 6,7-dichloro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6,7-dichloro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83049608
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name6,7-dichloro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2ccc(Cl)c(Cl)c2OC1CCC
InChIInChI=1S/C14H19Cl2NO/c1-3-5-11-13(17-8-4-2)9-6-7-10(15)12(16)14(9)18-11/h6-7,11,13,17H,3-5,8H2,1-2H3
InChIKeySBSAWMWNUYFVNB-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6,7-dichloro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine (CID 83049608) is 6,7-dichloro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6,7-dichloro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6,7-dichloro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine is CCCNC1c2ccc(Cl)c(Cl)c2OC1CCC.
What is the InChIKey of 6,7-dichloro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is SBSAWMWNUYFVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-3-5-11-13(17-8-4-2)9-6-7-10(15)12(16)14(9)18-11/h6-7,11,13,17H,3-5,8H2,1-2H3.
What are the key properties of 6,7-dichloro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine?
6,7-dichloro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 288.22 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83049608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).