[4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine

C13H15Cl2NO — CID 114376411

IUPAC[4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
SMILESCC(C)Cc1c(CN)oc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C13H15Cl2NO/c1-7(2)5-8-11(6-16)17-13-10(15)4-3-9(14)12(8)13/h3-4,7H,5-6,16H2,1-2H3
InChIKeyXLAUZUWBZDANFO-UHFFFAOYSA-N
MW272.17 g/mol
LogP4.40
Rot. Bonds3

About [4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine

[4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine (PubChem CID 114376411) has the molecular formula C13H15Cl2NO and a molecular weight of 272.17 g/mol. Its IUPAC name is [4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
PubChem CID114376411
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17 g/mol
Exact Mass271.05
IUPAC Name[4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
SMILESCC(C)Cc1c(CN)oc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C13H15Cl2NO/c1-7(2)5-8-11(6-16)17-13-10(15)4-3-9(14)12(8)13/h3-4,7H,5-6,16H2,1-2H3
InChIKeyXLAUZUWBZDANFO-UHFFFAOYSA-N
XLogP4.40
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine with MolForge

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Related Compounds

[4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114375860
1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 114377486
N-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114377499
N-[(4,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 104842966
[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114375077
[3-(2-methylpropyl)-7-phenyl-1-benzofuran-2-yl]methanamine
CID 114375378
1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 114376423
N-[[6,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 114375472
[5-(2-methylpropyl)furan-2-yl]methanamine
CID 83815402
[5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 107669939
(4-bromo-7-chloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine
CID 114377361
(6,7-dichloro-3-methyl-1-benzofuran-2-yl)methanamine
CID 81049172

Frequently Asked Questions

What is the IUPAC name of [4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine?
The IUPAC name of [4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine (CID 114376411) is [4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine is CC(C)Cc1c(CN)oc2c(Cl)ccc(Cl)c12.
What is the InChIKey of [4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine?
The InChIKey is XLAUZUWBZDANFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c1-7(2)5-8-11(6-16)17-13-10(15)4-3-9(14)12(8)13/h3-4,7H,5-6,16H2,1-2H3.
What are the key properties of [4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine?
[4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine has a molecular weight of 272.17 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 114376411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).