2-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxybutan-2-amine

C13H19NO2 — CID 104542243

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxybutan-2-amine
SMILESCCC(N)(COC)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H19NO2/c1-3-13(14,9-15-2)11-4-5-12-10(8-11)6-7-16-12/h4-5,8H,3,6-7,9,14H2,1-2H3
InChIKeySTYCGPAZAXCEFK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.83
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxybutan-2-amine

2-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxybutan-2-amine (PubChem CID 104542243) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxybutan-2-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxybutan-2-amine
PubChem CID104542243
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxybutan-2-amine
SMILESCCC(N)(COC)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H19NO2/c1-3-13(14,9-15-2)11-4-5-12-10(8-11)6-7-16-12/h4-5,8H,3,6-7,9,14H2,1-2H3
InChIKeySTYCGPAZAXCEFK-UHFFFAOYSA-N
XLogP1.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxybutan-2-amine 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

1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylbutan-1-amine
CID 104542228
3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 22592399
1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine
CID 104542207
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylbutan-1-one
CID 116592719
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropane-1-thiol
CID 116866512
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 83397414
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136364
5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran
CID 79837255
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine
CID 170188643
4-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2,3-dihydro-1-benzofuran;ethane
CID 158682254
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830115
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-methylpropan-2-amine
CID 65444502

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxybutan-2-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxybutan-2-amine (CID 104542243) is 2-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxybutan-2-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxybutan-2-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxybutan-2-amine is CCC(N)(COC)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxybutan-2-amine?
The InChIKey is STYCGPAZAXCEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-13(14,9-15-2)11-4-5-12-10(8-11)6-7-16-12/h4-5,8H,3,6-7,9,14H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxybutan-2-amine?
2-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxybutan-2-amine has a molecular weight of 221.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxybutan-2-amine is sourced from PubChem (CID 104542243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).