[3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine

C16H23NO3 — CID 62456387

IUPAC[3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESCCCCOCCOCc1c(CN)oc2ccccc12
InChIInChI=1S/C16H23NO3/c1-2-3-8-18-9-10-19-12-14-13-6-4-5-7-15(13)20-16(14)11-17/h4-7H,2-3,8-12,17H2,1H3
InChIKeyPYVZWDDSXIMNSF-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.22
Rot. Bonds9

About [3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine

[3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine (PubChem CID 62456387) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine
PubChem CID62456387
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESCCCCOCCOCc1c(CN)oc2ccccc12
InChIInChI=1S/C16H23NO3/c1-2-3-8-18-9-10-19-12-14-13-6-4-5-7-15(13)20-16(14)11-17/h4-7H,2-3,8-12,17H2,1H3
InChIKeyPYVZWDDSXIMNSF-UHFFFAOYSA-N
XLogP3.22
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-(2-butoxyethoxymethyl)-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

[3-(octoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457211
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1-benzofuran-2-yl]methanamine
CID 115942815
2-[[2-(aminomethyl)-1-benzofuran-3-yl]methoxy]-N,N-diethylethanamine
CID 62460049
N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62449526
[3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine
CID 103285698
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62449528
[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62485823
N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62449900
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
[3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62486710
N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 63685145
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62450257

Frequently Asked Questions

What is the IUPAC name of [3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine?
The IUPAC name of [3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine (CID 62456387) is [3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine is CCCCOCCOCc1c(CN)oc2ccccc12.
What is the InChIKey of [3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine?
The InChIKey is PYVZWDDSXIMNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-3-8-18-9-10-19-12-14-13-6-4-5-7-15(13)20-16(14)11-17/h4-7H,2-3,8-12,17H2,1H3.
What are the key properties of [3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine?
[3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine has a molecular weight of 277.36 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 62456387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).