2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline

C17H19NO2 — CID 65430830

IUPAC2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline
SMILESCc1ccc(OCCc2ccc3c(c2)CCO3)c(N)c1
InChIInChI=1S/C17H19NO2/c1-12-2-4-17(15(18)10-12)20-8-6-13-3-5-16-14(11-13)7-9-19-16/h2-5,10-11H,6-9,18H2,1H3
InChIKeyZJSHXVVULZZHHC-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.13
Rot. Bonds4

About 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline

2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline (PubChem CID 65430830) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline
PubChem CID65430830
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline
SMILESCc1ccc(OCCc2ccc3c(c2)CCO3)c(N)c1
InChIInChI=1S/C17H19NO2/c1-12-2-4-17(15(18)10-12)20-8-6-13-3-5-16-14(11-13)7-9-19-16/h2-5,10-11H,6-9,18H2,1H3
InChIKeyZJSHXVVULZZHHC-UHFFFAOYSA-N
XLogP3.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65447152
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde
CID 65444666
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methylaniline
CID 65430638
4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
CID 103009282
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]-5-methylaniline
CID 81176495
5-[2-(2-chlorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 65441677
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
CID 65431769
5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 107723704
5-[2-[4-bromo-2-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65445258
1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine
CID 65429354
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde
CID 102670873

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline?
The IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline (CID 65430830) is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline.
What is the SMILES notation for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline?
The canonical SMILES for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline is Cc1ccc(OCCc2ccc3c(c2)CCO3)c(N)c1.
What is the InChIKey of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline?
The InChIKey is ZJSHXVVULZZHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-2-4-17(15(18)10-12)20-8-6-13-3-5-16-14(11-13)7-9-19-16/h2-5,10-11H,6-9,18H2,1H3.
What are the key properties of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline?
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline has a molecular weight of 269.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline is sourced from PubChem (CID 65430830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).