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

C18H27NO2 — CID 62457211

IUPAC[3-(octoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESCCCCCCCCOCc1c(CN)oc2ccccc12
InChIInChI=1S/C18H27NO2/c1-2-3-4-5-6-9-12-20-14-16-15-10-7-8-11-17(15)21-18(16)13-19/h7-8,10-11H,2-6,9,12-14,19H2,1H3
InChIKeyQBRWKNJJKYEOES-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.77
Rot. Bonds10

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

[3-(octoxymethyl)-1-benzofuran-2-yl]methanamine (PubChem CID 62457211) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is [3-(octoxymethyl)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[3-(octoxymethyl)-1-benzofuran-2-yl]methanamine
PubChem CID62457211
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name[3-(octoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESCCCCCCCCOCc1c(CN)oc2ccccc12
InChIInChI=1S/C18H27NO2/c1-2-3-4-5-6-9-12-20-14-16-15-10-7-8-11-17(15)21-18(16)13-19/h7-8,10-11H,2-6,9,12-14,19H2,1H3
InChIKeyQBRWKNJJKYEOES-UHFFFAOYSA-N
XLogP4.77
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62456387
2-[[2-(aminomethyl)-1-benzofuran-3-yl]methoxy]-N,N-diethylethanamine
CID 62460049
N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62449900
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1-benzofuran-2-yl]methanamine
CID 115942815
[3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine
CID 103285698
N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62449526
[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62485823
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62449528
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
[3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62486710
2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62451511
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62450257

Frequently Asked Questions

What is the IUPAC name of [3-(octoxymethyl)-1-benzofuran-2-yl]methanamine?
The IUPAC name of [3-(octoxymethyl)-1-benzofuran-2-yl]methanamine (CID 62457211) is [3-(octoxymethyl)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [3-(octoxymethyl)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [3-(octoxymethyl)-1-benzofuran-2-yl]methanamine is CCCCCCCCOCc1c(CN)oc2ccccc12.
What is the InChIKey of [3-(octoxymethyl)-1-benzofuran-2-yl]methanamine?
The InChIKey is QBRWKNJJKYEOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-3-4-5-6-9-12-20-14-16-15-10-7-8-11-17(15)21-18(16)13-19/h7-8,10-11H,2-6,9,12-14,19H2,1H3.
What are the key properties of [3-(octoxymethyl)-1-benzofuran-2-yl]methanamine?
[3-(octoxymethyl)-1-benzofuran-2-yl]methanamine has a molecular weight of 289.42 g/mol, XLogP of 4.77, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(octoxymethyl)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 62457211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).