1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine

C15H19Cl2NO — CID 65440193

IUPAC1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc2ccc(Cl)c(Cl)c2o1)C(C)C
InChIInChI=1S/C15H19Cl2NO/c1-4-7-18-14(9(2)3)12-8-10-5-6-11(16)13(17)15(10)19-12/h5-6,8-9,14,18H,4,7H2,1-3H3
InChIKeyFPIQFLCMLCDMNQ-UHFFFAOYSA-N
MW300.23 g/mol
LogP5.44
Rot. Bonds5

About 1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine

1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine (PubChem CID 65440193) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is 1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
PubChem CID65440193
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc2ccc(Cl)c(Cl)c2o1)C(C)C
InChIInChI=1S/C15H19Cl2NO/c1-4-7-18-14(9(2)3)12-8-10-5-6-11(16)13(17)15(10)19-12/h5-6,8-9,14,18H,4,7H2,1-3H3
InChIKeyFPIQFLCMLCDMNQ-UHFFFAOYSA-N
XLogP5.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.23
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65440192
1-(5,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65439450
1-(6,7-dimethyl-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65440774
1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine
CID 65440530
1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine
CID 65439823
1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine
CID 65440531
1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65440191
1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 105048645
N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine
CID 65441182
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 116690983
1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65426506
1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine
CID 114978573

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine (CID 65440193) is 1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine is CCCNC(c1cc2ccc(Cl)c(Cl)c2o1)C(C)C.
What is the InChIKey of 1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is FPIQFLCMLCDMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-4-7-18-14(9(2)3)12-8-10-5-6-11(16)13(17)15(10)19-12/h5-6,8-9,14,18H,4,7H2,1-3H3.
What are the key properties of 1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine?
1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 300.23 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 65440193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).