[3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine

C17H17NO2 — CID 117174164

IUPAC[3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine
SMILESCc1ccc(OCc2coc3ccc(CN)cc23)cc1
InChIInChI=1S/C17H17NO2/c1-12-2-5-15(6-3-12)19-10-14-11-20-17-7-4-13(9-18)8-16(14)17/h2-8,11H,9-10,18H2,1H3
InChIKeyCBEKWKPSVUVXSM-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.78
Rot. Bonds4

About [3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine

[3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine (PubChem CID 117174164) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is [3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine
PubChem CID117174164
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name[3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine
SMILESCc1ccc(OCc2coc3ccc(CN)cc23)cc1
InChIInChI=1S/C17H17NO2/c1-12-2-5-15(6-3-12)19-10-14-11-20-17-7-4-13(9-18)8-16(14)17/h2-8,11H,9-10,18H2,1H3
InChIKeyCBEKWKPSVUVXSM-UHFFFAOYSA-N
XLogP3.78
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[(4-methylphenoxy)methyl]-1-benzofuran-5-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

4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol
CID 117174167
4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol
CID 117185001
[3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine
CID 117174169
[3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine
CID 117174176
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-5-ol
CID 117174309
N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 117174172
5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
CID 117174314
5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
CID 117174312
3-[(4-methylphenoxy)methyl]-1-benzofuran-7-amine
CID 117181082
6-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran
CID 117185533
(4-methylphenyl) 2-(5-methyl-1-benzofuran-3-yl)acetate
CID 18872439
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine?
The IUPAC name of [3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine (CID 117174164) is [3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine.
What is the SMILES notation for [3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine?
The canonical SMILES for [3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine is Cc1ccc(OCc2coc3ccc(CN)cc23)cc1.
What is the InChIKey of [3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine?
The InChIKey is CBEKWKPSVUVXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-2-5-15(6-3-12)19-10-14-11-20-17-7-4-13(9-18)8-16(14)17/h2-8,11H,9-10,18H2,1H3.
What are the key properties of [3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine?
[3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine is sourced from PubChem (CID 117174164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).