(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine

C16H16ClNO2 — CID 62073231

IUPAC(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2oc3ccc(Cl)cc3c2C)c(C)o1
InChIInChI=1S/C16H16ClNO2/c1-8-6-13(10(3)19-8)15(18)16-9(2)12-7-11(17)4-5-14(12)20-16/h4-7,15H,18H2,1-3H3
InChIKeyZQVKYSGDCATRTE-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.65
Rot. Bonds2

About (5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine

(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine (PubChem CID 62073231) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is (5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
PubChem CID62073231
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2oc3ccc(Cl)cc3c2C)c(C)o1
InChIInChI=1S/C16H16ClNO2/c1-8-6-13(10(3)19-8)15(18)16-9(2)12-7-11(17)4-5-14(12)20-16/h4-7,15H,18H2,1-3H3
InChIKeyZQVKYSGDCATRTE-UHFFFAOYSA-N
XLogP4.65
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The IUPAC name of (5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine (CID 62073231) is (5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine.
What is the SMILES notation for (5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The canonical SMILES for (5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine is Cc1cc(C(N)c2oc3ccc(Cl)cc3c2C)c(C)o1.
What is the InChIKey of (5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The InChIKey is ZQVKYSGDCATRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-8-6-13(10(3)19-8)15(18)16-9(2)12-7-11(17)4-5-14(12)20-16/h4-7,15H,18H2,1-3H3.
What are the key properties of (5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine?
(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine has a molecular weight of 289.76 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine is sourced from PubChem (CID 62073231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).