2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline

C16H16ClNO2 — CID 65431769

IUPAC2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
SMILESNc1ccc(OCCc2ccc3c(c2)CCO3)cc1Cl
InChIInChI=1S/C16H16ClNO2/c17-14-10-13(2-3-15(14)18)19-7-5-11-1-4-16-12(9-11)6-8-20-16/h1-4,9-10H,5-8,18H2
InChIKeyUGWYKJNIFISJJJ-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.48
Rot. Bonds4

About 2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline

2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline (PubChem CID 65431769) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline.

Molecular Properties

Compound Name2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
PubChem CID65431769
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
SMILESNc1ccc(OCCc2ccc3c(c2)CCO3)cc1Cl
InChIInChI=1S/C16H16ClNO2/c17-14-10-13(2-3-15(14)18)19-7-5-11-1-4-16-12(9-11)6-8-20-16/h1-4,9-10H,5-8,18H2
InChIKeyUGWYKJNIFISJJJ-UHFFFAOYSA-N
XLogP3.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.48
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

2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]benzonitrile
CID 102674746
5-[2-(2-chlorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 65441677
2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile
CID 65446556
5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-fluoropyridine
CID 113296520
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline
CID 65430830
5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 107723704
4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
CID 103009282
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methylaniline
CID 65430638
1-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]ethanol
CID 65445625
3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline
CID 65430275
5-[2-[2-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 115956716
O-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydroxylamine
CID 83698233

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline?
The IUPAC name of 2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline (CID 65431769) is 2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline.
What is the SMILES notation for 2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline?
The canonical SMILES for 2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline is Nc1ccc(OCCc2ccc3c(c2)CCO3)cc1Cl.
What is the InChIKey of 2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline?
The InChIKey is UGWYKJNIFISJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-14-10-13(2-3-15(14)18)19-7-5-11-1-4-16-12(9-11)6-8-20-16/h1-4,9-10H,5-8,18H2.
What are the key properties of 2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline?
2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline has a molecular weight of 289.76 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline is sourced from PubChem (CID 65431769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).