N-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine

C18H25NO2 — CID 62443571

IUPACN-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
SMILESCNCc1c(COC2CCCCC2C)oc2ccccc12
InChIInChI=1S/C18H25NO2/c1-13-7-3-5-9-16(13)20-12-18-15(11-19-2)14-8-4-6-10-17(14)21-18/h4,6,8,10,13,16,19H,3,5,7,9,11-12H2,1-2H3
InChIKeyNKROYECIXLYJHL-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.25
Rot. Bonds5

About N-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine

N-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine (PubChem CID 62443571) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
PubChem CID62443571
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
SMILESCNCc1c(COC2CCCCC2C)oc2ccccc12
InChIInChI=1S/C18H25NO2/c1-13-7-3-5-9-16(13)20-12-18-15(11-19-2)14-8-4-6-10-17(14)21-18/h4,6,8,10,13,16,19H,3,5,7,9,11-12H2,1-2H3
InChIKeyNKROYECIXLYJHL-UHFFFAOYSA-N
XLogP4.25
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine (CID 62443571) is N-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine is CNCc1c(COC2CCCCC2C)oc2ccccc12.
What is the InChIKey of N-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine?
The InChIKey is NKROYECIXLYJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13-7-3-5-9-16(13)20-12-18-15(11-19-2)14-8-4-6-10-17(14)21-18/h4,6,8,10,13,16,19H,3,5,7,9,11-12H2,1-2H3.
What are the key properties of N-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine?
N-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine has a molecular weight of 287.40 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine is sourced from PubChem (CID 62443571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).