N-[(5,7-dichloro-1-benzofuran-2-yl)methyl]propan-2-amine

C12H13Cl2NO — CID 65438619

IUPACN-[(5,7-dichloro-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C12H13Cl2NO/c1-7(2)15-6-10-4-8-3-9(13)5-11(14)12(8)16-10/h3-5,7,15H,6H2,1-2H3
InChIKeyDPQAMVQYKJGRNZ-UHFFFAOYSA-N
MW258.15 g/mol
LogP4.24
Rot. Bonds3

About N-[(5,7-dichloro-1-benzofuran-2-yl)methyl]propan-2-amine

N-[(5,7-dichloro-1-benzofuran-2-yl)methyl]propan-2-amine (PubChem CID 65438619) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is N-[(5,7-dichloro-1-benzofuran-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5,7-dichloro-1-benzofuran-2-yl)methyl]propan-2-amine
PubChem CID65438619
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC NameN-[(5,7-dichloro-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C12H13Cl2NO/c1-7(2)15-6-10-4-8-3-9(13)5-11(14)12(8)16-10/h3-5,7,15H,6H2,1-2H3
InChIKeyDPQAMVQYKJGRNZ-UHFFFAOYSA-N
XLogP4.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dichloro-1-benzofuran-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5,7-dichloro-1-benzofuran-2-yl)methyl]propan-2-amine (CID 65438619) is N-[(5,7-dichloro-1-benzofuran-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5,7-dichloro-1-benzofuran-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5,7-dichloro-1-benzofuran-2-yl)methyl]propan-2-amine is CC(C)NCc1cc2cc(Cl)cc(Cl)c2o1.
What is the InChIKey of N-[(5,7-dichloro-1-benzofuran-2-yl)methyl]propan-2-amine?
The InChIKey is DPQAMVQYKJGRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-7(2)15-6-10-4-8-3-9(13)5-11(14)12(8)16-10/h3-5,7,15H,6H2,1-2H3.
What are the key properties of N-[(5,7-dichloro-1-benzofuran-2-yl)methyl]propan-2-amine?
N-[(5,7-dichloro-1-benzofuran-2-yl)methyl]propan-2-amine has a molecular weight of 258.15 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dichloro-1-benzofuran-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 65438619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).