N-methyl-2-(7-methyl-4-propan-2-yl-1-benzofuran-3-yl)ethanamine

C15H21NO — CID 81050132

IUPACN-methyl-2-(7-methyl-4-propan-2-yl-1-benzofuran-3-yl)ethanamine
SMILESCNCCc1coc2c(C)ccc(C(C)C)c12
InChIInChI=1S/C15H21NO/c1-10(2)13-6-5-11(3)15-14(13)12(9-17-15)7-8-16-4/h5-6,9-10,16H,7-8H2,1-4H3
InChIKeyKNFXWVVGCFJYIE-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.63
Rot. Bonds4

About N-methyl-2-(7-methyl-4-propan-2-yl-1-benzofuran-3-yl)ethanamine

N-methyl-2-(7-methyl-4-propan-2-yl-1-benzofuran-3-yl)ethanamine (PubChem CID 81050132) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-methyl-2-(7-methyl-4-propan-2-yl-1-benzofuran-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(7-methyl-4-propan-2-yl-1-benzofuran-3-yl)ethanamine
PubChem CID81050132
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-methyl-2-(7-methyl-4-propan-2-yl-1-benzofuran-3-yl)ethanamine
SMILESCNCCc1coc2c(C)ccc(C(C)C)c12
InChIInChI=1S/C15H21NO/c1-10(2)13-6-5-11(3)15-14(13)12(9-17-15)7-8-16-4/h5-6,9-10,16H,7-8H2,1-4H3
InChIKeyKNFXWVVGCFJYIE-UHFFFAOYSA-N
XLogP3.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(7-methyl-4-propan-2-yl-1-benzofuran-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(7-methyl-4-propan-2-yl-1-benzofuran-3-yl)ethanamine (CID 81050132) is N-methyl-2-(7-methyl-4-propan-2-yl-1-benzofuran-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(7-methyl-4-propan-2-yl-1-benzofuran-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(7-methyl-4-propan-2-yl-1-benzofuran-3-yl)ethanamine is CNCCc1coc2c(C)ccc(C(C)C)c12.
What is the InChIKey of N-methyl-2-(7-methyl-4-propan-2-yl-1-benzofuran-3-yl)ethanamine?
The InChIKey is KNFXWVVGCFJYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10(2)13-6-5-11(3)15-14(13)12(9-17-15)7-8-16-4/h5-6,9-10,16H,7-8H2,1-4H3.
What are the key properties of N-methyl-2-(7-methyl-4-propan-2-yl-1-benzofuran-3-yl)ethanamine?
N-methyl-2-(7-methyl-4-propan-2-yl-1-benzofuran-3-yl)ethanamine has a molecular weight of 231.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(7-methyl-4-propan-2-yl-1-benzofuran-3-yl)ethanamine is sourced from PubChem (CID 81050132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).