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

C16H16BrNO2 — CID 103009282

IUPAC4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
SMILESNc1ccc(Br)c(OCCc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C16H16BrNO2/c17-14-3-2-13(18)10-16(14)20-7-5-11-1-4-15-12(9-11)6-8-19-15/h1-4,9-10H,5-8,18H2
InChIKeyFFXGASGIWGUARQ-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.59
Rot. Bonds4

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

4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline (PubChem CID 103009282) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline.

Molecular Properties

Compound Name4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
PubChem CID103009282
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
SMILESNc1ccc(Br)c(OCCc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C16H16BrNO2/c17-14-3-2-13(18)10-16(14)20-7-5-11-1-4-15-12(9-11)6-8-19-15/h1-4,9-10H,5-8,18H2
InChIKeyFFXGASGIWGUARQ-UHFFFAOYSA-N
XLogP3.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.59
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

3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methylaniline
CID 65430638
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline
CID 65430830
3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline
CID 65430275
5-[2-[4-bromo-2-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65445258
5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 107098626
1-(5-amino-2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 116602879
5-[2-(2-chlorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 65441677
5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 107723704
2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-aminobenzoate
CID 65445543
5-[2-[2-bromo-6-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65446587
2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
CID 65431769
1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine
CID 65429354

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline?
The IUPAC name of 4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline (CID 103009282) is 4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline.
What is the SMILES notation for 4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline?
The canonical SMILES for 4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline is Nc1ccc(Br)c(OCCc2ccc3c(c2)CCO3)c1.
What is the InChIKey of 4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline?
The InChIKey is FFXGASGIWGUARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c17-14-3-2-13(18)10-16(14)20-7-5-11-1-4-15-12(9-11)6-8-19-15/h1-4,9-10H,5-8,18H2.
What are the key properties of 4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline?
4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline has a molecular weight of 334.21 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline is sourced from PubChem (CID 103009282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).