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

C18H19NO2 — CID 114377183

IUPAC[5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESCOCc1c(CN)oc2ccc(Cc3ccccc3)cc12
InChIInChI=1S/C18H19NO2/c1-20-12-16-15-10-14(9-13-5-3-2-4-6-13)7-8-17(15)21-18(16)11-19/h2-8,10H,9,11-12,19H2,1H3
InChIKeyQKXYJEAXHQOMKC-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.63
Rot. Bonds5

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

[5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine (PubChem CID 114377183) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is [5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
PubChem CID114377183
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC Name[5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESCOCc1c(CN)oc2ccc(Cc3ccccc3)cc12
InChIInChI=1S/C18H19NO2/c1-20-12-16-15-10-14(9-13-5-3-2-4-6-13)7-8-17(15)21-18(16)11-19/h2-8,10H,9,11-12,19H2,1H3
InChIKeyQKXYJEAXHQOMKC-UHFFFAOYSA-N
XLogP3.63
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine
CID 114377191
1-(5-benzyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843134
2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine
CID 11023552
(5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine
CID 62381054
(5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine
CID 114375977
7-benzyl-1,2-dimethoxyxanthen-9-one
CID 10882520
3-(methoxymethyl)-2-propyl-1-benzofuran
CID 101375007
2-benzylxanthene-9-thione
CID 88726523
[3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62453771
[3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine
CID 63488537
2-benzyl-6-methyldibenzofuran
CID 155004540
(5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine
CID 115493278

Frequently Asked Questions

What is the IUPAC name of [5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine?
The IUPAC name of [5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine (CID 114377183) is [5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine is COCc1c(CN)oc2ccc(Cc3ccccc3)cc12.
What is the InChIKey of [5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine?
The InChIKey is QKXYJEAXHQOMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-20-12-16-15-10-14(9-13-5-3-2-4-6-13)7-8-17(15)21-18(16)11-19/h2-8,10H,9,11-12,19H2,1H3.
What are the key properties of [5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine?
[5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine has a molecular weight of 281.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 114377183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).