N-methyl-1-[2-(oxan-4-ylmethoxymethyl)-1-benzofuran-3-yl]methanamine

C17H23NO3 — CID 62470710

IUPACN-methyl-1-[2-(oxan-4-ylmethoxymethyl)-1-benzofuran-3-yl]methanamine
SMILESCNCc1c(COCC2CCOCC2)oc2ccccc12
InChIInChI=1S/C17H23NO3/c1-18-10-15-14-4-2-3-5-16(14)21-17(15)12-20-11-13-6-8-19-9-7-13/h2-5,13,18H,6-12H2,1H3
InChIKeyNTPIPZMKTVQKPR-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.10
Rot. Bonds6

About N-methyl-1-[2-(oxan-4-ylmethoxymethyl)-1-benzofuran-3-yl]methanamine

N-methyl-1-[2-(oxan-4-ylmethoxymethyl)-1-benzofuran-3-yl]methanamine (PubChem CID 62470710) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-methyl-1-[2-(oxan-4-ylmethoxymethyl)-1-benzofuran-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(oxan-4-ylmethoxymethyl)-1-benzofuran-3-yl]methanamine
PubChem CID62470710
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC NameN-methyl-1-[2-(oxan-4-ylmethoxymethyl)-1-benzofuran-3-yl]methanamine
SMILESCNCc1c(COCC2CCOCC2)oc2ccccc12
InChIInChI=1S/C17H23NO3/c1-18-10-15-14-4-2-3-5-16(14)21-17(15)12-20-11-13-6-8-19-9-7-13/h2-5,13,18H,6-12H2,1H3
InChIKeyNTPIPZMKTVQKPR-UHFFFAOYSA-N
XLogP3.10
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(oxan-4-ylmethoxymethyl)-1-benzofuran-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(oxan-4-ylmethoxymethyl)-1-benzofuran-3-yl]methanamine (CID 62470710) is N-methyl-1-[2-(oxan-4-ylmethoxymethyl)-1-benzofuran-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(oxan-4-ylmethoxymethyl)-1-benzofuran-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(oxan-4-ylmethoxymethyl)-1-benzofuran-3-yl]methanamine is CNCc1c(COCC2CCOCC2)oc2ccccc12.
What is the InChIKey of N-methyl-1-[2-(oxan-4-ylmethoxymethyl)-1-benzofuran-3-yl]methanamine?
The InChIKey is NTPIPZMKTVQKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-18-10-15-14-4-2-3-5-16(14)21-17(15)12-20-11-13-6-8-19-9-7-13/h2-5,13,18H,6-12H2,1H3.
What are the key properties of N-methyl-1-[2-(oxan-4-ylmethoxymethyl)-1-benzofuran-3-yl]methanamine?
N-methyl-1-[2-(oxan-4-ylmethoxymethyl)-1-benzofuran-3-yl]methanamine has a molecular weight of 289.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(oxan-4-ylmethoxymethyl)-1-benzofuran-3-yl]methanamine is sourced from PubChem (CID 62470710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).