N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine

C17H23NO2 — CID 62445692

IUPACN-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
SMILESCC(C)COCc1c(CNC2CC2)oc2ccccc12
InChIInChI=1S/C17H23NO2/c1-12(2)10-19-11-15-14-5-3-4-6-16(14)20-17(15)9-18-13-7-8-13/h3-6,12-13,18H,7-11H2,1-2H3
InChIKeyIMXVFYXWWPWUMW-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.86
Rot. Bonds7

About N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine

N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine (PubChem CID 62445692) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
PubChem CID62445692
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
SMILESCC(C)COCc1c(CNC2CC2)oc2ccccc12
InChIInChI=1S/C17H23NO2/c1-12(2)10-19-11-15-14-5-3-4-6-16(14)20-17(15)9-18-13-7-8-13/h3-6,12-13,18H,7-11H2,1-2H3
InChIKeyIMXVFYXWWPWUMW-UHFFFAOYSA-N
XLogP3.86
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62449900
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62450257
N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62443711
N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine
CID 106449873
N-[[3-(2-methylpropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446253
N-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62443187
N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine
CID 43226088
N-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55073016
N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457094
N-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114375292
[3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine
CID 103285698
1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62459494

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine (CID 62445692) is N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine is CC(C)COCc1c(CNC2CC2)oc2ccccc12.
What is the InChIKey of N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine?
The InChIKey is IMXVFYXWWPWUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(2)10-19-11-15-14-5-3-4-6-16(14)20-17(15)9-18-13-7-8-13/h3-6,12-13,18H,7-11H2,1-2H3.
What are the key properties of N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine?
N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine has a molecular weight of 273.38 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62445692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).