[3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine

C14H19NO2 — CID 114377191

IUPAC[3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine
SMILESCCCc1ccc2oc(CN)c(COC)c2c1
InChIInChI=1S/C14H19NO2/c1-3-4-10-5-6-13-11(7-10)12(9-16-2)14(8-15)17-13/h5-7H,3-4,8-9,15H2,1-2H3
InChIKeyYPMCZYFNUIXSLO-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.99
Rot. Bonds5

About [3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine

[3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine (PubChem CID 114377191) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine
PubChem CID114377191
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine
SMILESCCCc1ccc2oc(CN)c(COC)c2c1
InChIInChI=1S/C14H19NO2/c1-3-4-10-5-6-13-11(7-10)12(9-16-2)14(8-15)17-13/h5-7H,3-4,8-9,15H2,1-2H3
InChIKeyYPMCZYFNUIXSLO-UHFFFAOYSA-N
XLogP2.99
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
CID 114377183
(5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine
CID 62381054
(5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine
CID 115493278
3-(methoxymethyl)-2-propyl-1-benzofuran
CID 101375007
(5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine
CID 114375977
[3-(octoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457211
N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine
CID 114376622
[3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62456387
2-(aminomethyl)-3-propylfuro[3,2-g]chromen-7-one
CID 20511418
2,6-dipropylchromen-4-one
CID 58402381
6,18-dipropyl-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 132605895
[3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine
CID 103285698

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine?
The IUPAC name of [3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine (CID 114377191) is [3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine is CCCc1ccc2oc(CN)c(COC)c2c1.
What is the InChIKey of [3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine?
The InChIKey is YPMCZYFNUIXSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-4-10-5-6-13-11(7-10)12(9-16-2)14(8-15)17-13/h5-7H,3-4,8-9,15H2,1-2H3.
What are the key properties of [3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine?
[3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine has a molecular weight of 233.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 114377191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).