N-methyl-1-(2-methyl-1-benzofuran-3-yl)methanamine

C11H13NO — CID 66967084

IUPACN-methyl-1-(2-methyl-1-benzofuran-3-yl)methanamine
SMILESCNCc1c(C)oc2ccccc12
InChIInChI=1S/C11H13NO/c1-8-10(7-12-2)9-5-3-4-6-11(9)13-8/h3-6,12H,7H2,1-2H3
InChIKeyQVBFBLJFXALUTB-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.46
Rot. Bonds2

About N-methyl-1-(2-methyl-1-benzofuran-3-yl)methanamine

N-methyl-1-(2-methyl-1-benzofuran-3-yl)methanamine (PubChem CID 66967084) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-1-benzofuran-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-1-benzofuran-3-yl)methanamine
PubChem CID66967084
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC NameN-methyl-1-(2-methyl-1-benzofuran-3-yl)methanamine
SMILESCNCc1c(C)oc2ccccc12
InChIInChI=1S/C11H13NO/c1-8-10(7-12-2)9-5-3-4-6-11(9)13-8/h3-6,12H,7H2,1-2H3
InChIKeyQVBFBLJFXALUTB-UHFFFAOYSA-N
XLogP2.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-1-benzofuran-3-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methyl-1-benzofuran-3-yl)methanamine (CID 66967084) is N-methyl-1-(2-methyl-1-benzofuran-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-1-benzofuran-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-1-benzofuran-3-yl)methanamine is CNCc1c(C)oc2ccccc12.
What is the InChIKey of N-methyl-1-(2-methyl-1-benzofuran-3-yl)methanamine?
The InChIKey is QVBFBLJFXALUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-10(7-12-2)9-5-3-4-6-11(9)13-8/h3-6,12H,7H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-1-benzofuran-3-yl)methanamine?
N-methyl-1-(2-methyl-1-benzofuran-3-yl)methanamine has a molecular weight of 175.23 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-1-benzofuran-3-yl)methanamine is sourced from PubChem (CID 66967084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).