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

C10H9Cl2NO — CID 81049172

IUPAC(6,7-dichloro-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(CN)oc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C10H9Cl2NO/c1-5-6-2-3-7(11)9(12)10(6)14-8(5)4-13/h2-3H,4,13H2,1H3
InChIKeyATGKURPESFTCDM-UHFFFAOYSA-N
MW230.09 g/mol
LogP3.51
Rot. Bonds1

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

(6,7-dichloro-3-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 81049172) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is (6,7-dichloro-3-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(6,7-dichloro-3-methyl-1-benzofuran-2-yl)methanamine
PubChem CID81049172
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name(6,7-dichloro-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(CN)oc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C10H9Cl2NO/c1-5-6-2-3-7(11)9(12)10(6)14-8(5)4-13/h2-3H,4,13H2,1H3
InChIKeyATGKURPESFTCDM-UHFFFAOYSA-N
XLogP3.51
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 53.51
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-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (6,7-dichloro-3-methyl-1-benzofuran-2-yl)methanamine (CID 81049172) is (6,7-dichloro-3-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (6,7-dichloro-3-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (6,7-dichloro-3-methyl-1-benzofuran-2-yl)methanamine is Cc1c(CN)oc2c(Cl)c(Cl)ccc12.
What is the InChIKey of (6,7-dichloro-3-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is ATGKURPESFTCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c1-5-6-2-3-7(11)9(12)10(6)14-8(5)4-13/h2-3H,4,13H2,1H3.
What are the key properties of (6,7-dichloro-3-methyl-1-benzofuran-2-yl)methanamine?
(6,7-dichloro-3-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 230.09 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dichloro-3-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 81049172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).