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

C16H23NO2 — CID 103285698

IUPAC[3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESCCCC(C)COCc1c(CN)oc2ccccc12
InChIInChI=1S/C16H23NO2/c1-3-6-12(2)10-18-11-14-13-7-4-5-8-15(13)19-16(14)9-17/h4-5,7-8,12H,3,6,9-11,17H2,1-2H3
InChIKeyGNYPVNDDMKAQJF-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.84
Rot. Bonds7

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

[3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine (PubChem CID 103285698) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is [3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine
PubChem CID103285698
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name[3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESCCCC(C)COCc1c(CN)oc2ccccc12
InChIInChI=1S/C16H23NO2/c1-3-6-12(2)10-18-11-14-13-7-4-5-8-15(13)19-16(14)9-17/h4-5,7-8,12H,3,6,9-11,17H2,1-2H3
InChIKeyGNYPVNDDMKAQJF-UHFFFAOYSA-N
XLogP3.84
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62456387
[3-(octoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457211
2-[[2-(aminomethyl)-1-benzofuran-3-yl]methoxy]-N,N-diethylethanamine
CID 62460049
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1-benzofuran-2-yl]methanamine
CID 115942815
[3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62486710
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine
CID 62425555
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine
CID 62420512
[3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62453771
N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62443711
[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62485823
N-[[3-(pentan-2-yloxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 102986880
N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62445692

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine?
The IUPAC name of [3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine (CID 103285698) is [3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine is CCCC(C)COCc1c(CN)oc2ccccc12.
What is the InChIKey of [3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine?
The InChIKey is GNYPVNDDMKAQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-6-12(2)10-18-11-14-13-7-4-5-8-15(13)19-16(14)9-17/h4-5,7-8,12H,3,6,9-11,17H2,1-2H3.
What are the key properties of [3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine?
[3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine has a molecular weight of 261.36 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 103285698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).