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

C17H18FNO2 — CID 115952093

IUPAC[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorophenyl]methanamine
SMILESNCc1cccc(F)c1OCCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H18FNO2/c18-15-3-1-2-14(11-19)17(15)21-8-6-12-4-5-16-13(10-12)7-9-20-16/h1-5,10H,6-9,11,19H2
InChIKeyBJIFTJASCOZBHC-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.84
Rot. Bonds5

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

[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorophenyl]methanamine (PubChem CID 115952093) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorophenyl]methanamine
PubChem CID115952093
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorophenyl]methanamine
SMILESNCc1cccc(F)c1OCCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H18FNO2/c18-15-3-1-2-14(11-19)17(15)21-8-6-12-4-5-16-13(10-12)7-9-20-16/h1-5,10H,6-9,11,19H2
InChIKeyBJIFTJASCOZBHC-UHFFFAOYSA-N
XLogP2.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-[2-bromo-6-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65446587
5-[2-[2-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 115956716
3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline
CID 65430275
5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 107098626
1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine
CID 65429354
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,6-difluoroaniline
CID 65429911
O-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydroxylamine
CID 83698233
5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-fluoropyridine
CID 113296520
5-[2-(2-chlorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 65441677
1-(2-bromo-3-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864593
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde
CID 102670873
2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethanamine
CID 65305296

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorophenyl]methanamine?
The IUPAC name of [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorophenyl]methanamine (CID 115952093) is [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorophenyl]methanamine.
What is the SMILES notation for [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorophenyl]methanamine?
The canonical SMILES for [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorophenyl]methanamine is NCc1cccc(F)c1OCCc1ccc2c(c1)CCO2.
What is the InChIKey of [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorophenyl]methanamine?
The InChIKey is BJIFTJASCOZBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c18-15-3-1-2-14(11-19)17(15)21-8-6-12-4-5-16-13(10-12)7-9-20-16/h1-5,10H,6-9,11,19H2.
What are the key properties of [2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorophenyl]methanamine?
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorophenyl]methanamine has a molecular weight of 287.33 g/mol, XLogP of 2.84, 5 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]-3-fluorophenyl]methanamine is sourced from PubChem (CID 115952093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).