N-[(4-methyl-1-benzofuran-2-yl)methyl]ethanamine

C12H15NO — CID 117184721

IUPACN-[(4-methyl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1cc2c(C)cccc2o1
InChIInChI=1S/C12H15NO/c1-3-13-8-10-7-11-9(2)5-4-6-12(11)14-10/h4-7,13H,3,8H2,1-2H3
InChIKeyXWBLPHKKNJJKNH-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.85
Rot. Bonds3

About N-[(4-methyl-1-benzofuran-2-yl)methyl]ethanamine

N-[(4-methyl-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 117184721) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-[(4-methyl-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID117184721
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-[(4-methyl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1cc2c(C)cccc2o1
InChIInChI=1S/C12H15NO/c1-3-13-8-10-7-11-9(2)5-4-6-12(11)14-10/h4-7,13H,3,8H2,1-2H3
InChIKeyXWBLPHKKNJJKNH-UHFFFAOYSA-N
XLogP2.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methyl-1-benzofuran-2-yl)methyl]ethanamine (CID 117184721) is N-[(4-methyl-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methyl-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methyl-1-benzofuran-2-yl)methyl]ethanamine is CCNCc1cc2c(C)cccc2o1.
What is the InChIKey of N-[(4-methyl-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is XWBLPHKKNJJKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-13-8-10-7-11-9(2)5-4-6-12(11)14-10/h4-7,13H,3,8H2,1-2H3.
What are the key properties of N-[(4-methyl-1-benzofuran-2-yl)methyl]ethanamine?
N-[(4-methyl-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 189.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 117184721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).