3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline

C16H17NO3 — CID 79226564

IUPAC3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline
SMILESCOc1ccc(N)cc1OCC1COc2ccccc21
InChIInChI=1S/C16H17NO3/c1-18-15-7-6-12(17)8-16(15)20-10-11-9-19-14-5-3-2-4-13(11)14/h2-8,11H,9-10,17H2,1H3
InChIKeyVXMWPZGEZGCGAY-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.83
Rot. Bonds4

About 3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline

3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline (PubChem CID 79226564) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline
PubChem CID79226564
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline
SMILESCOc1ccc(N)cc1OCC1COc2ccccc21
InChIInChI=1S/C16H17NO3/c1-18-15-7-6-12(17)8-16(15)20-10-11-9-19-14-5-3-2-4-13(11)14/h2-8,11H,9-10,17H2,1H3
InChIKeyVXMWPZGEZGCGAY-UHFFFAOYSA-N
XLogP2.83
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorophenyl]ethanamine
CID 107692566
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 81005013
1-[5-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine
CID 79218487
(1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine
CID 79218495
[3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-6-methyl-2-pyridinyl]methanol
CID 79229392
[3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
CID 79226329
4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorobenzenecarbothioamide
CID 107665832
(1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine
CID 79218494
2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid
CID 79218339
4-methoxy-3-(oxolan-3-ylmethoxy)aniline
CID 61313811
3-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]-2,3-dihydro-1-benzofuran
CID 79219231

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline (CID 79226564) is 3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline is COc1ccc(N)cc1OCC1COc2ccccc21.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline?
The InChIKey is VXMWPZGEZGCGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-18-15-7-6-12(17)8-16(15)20-10-11-9-19-14-5-3-2-4-13(11)14/h2-8,11H,9-10,17H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline?
3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline has a molecular weight of 271.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline is sourced from PubChem (CID 79226564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).