[3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine

C18H19NO2 — CID 62453771

IUPAC[3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
SMILESCc1cc(C)cc(OCc2c(CN)oc3ccccc23)c1
InChIInChI=1S/C18H19NO2/c1-12-7-13(2)9-14(8-12)20-11-16-15-5-3-4-6-17(15)21-18(16)10-19/h3-9H,10-11,19H2,1-2H3
InChIKeyHGJYJNOJFIDRHV-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.09
Rot. Bonds4

About [3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine

[3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine (PubChem CID 62453771) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is [3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
PubChem CID62453771
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name[3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
SMILESCc1cc(C)cc(OCc2c(CN)oc3ccccc23)c1
InChIInChI=1S/C18H19NO2/c1-12-7-13(2)9-14(8-12)20-11-16-15-5-3-4-6-17(15)21-18(16)10-19/h3-9H,10-11,19H2,1-2H3
InChIKeyHGJYJNOJFIDRHV-UHFFFAOYSA-N
XLogP4.09
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62452377
[3-[(3-iodophenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62485146
[3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 63648436
[3-(pyridin-3-yloxymethyl)-1-benzofuran-2-yl]methanamine
CID 62452295
[3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine
CID 116803468
[3-[(2,5-dichlorophenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62450219
[3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62456387
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1-benzofuran-2-yl]methanamine
CID 115942815
[3-(octoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457211
2-[[2-(aminomethyl)-1-benzofuran-3-yl]methoxy]-N,N-diethylethanamine
CID 62460049
[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62484970
[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62485823

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine?
The IUPAC name of [3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine (CID 62453771) is [3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine is Cc1cc(C)cc(OCc2c(CN)oc3ccccc23)c1.
What is the InChIKey of [3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine?
The InChIKey is HGJYJNOJFIDRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-7-13(2)9-14(8-12)20-11-16-15-5-3-4-6-17(15)21-18(16)10-19/h3-9H,10-11,19H2,1-2H3.
What are the key properties of [3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine?
[3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine has a molecular weight of 281.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 62453771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).