2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine

C17H18FNO — CID 63803303

IUPAC2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)ccc1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C17H18FNO/c18-15-5-7-17(14(10-15)8-9-19)20-16-6-4-12-2-1-3-13(12)11-16/h4-7,10-11H,1-3,8-9,19H2
InChIKeyVEMCXDAJQUKUGV-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.61
Rot. Bonds4

About 2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine

2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine (PubChem CID 63803303) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine
PubChem CID63803303
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)ccc1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C17H18FNO/c18-15-5-7-17(14(10-15)8-9-19)20-16-6-4-12-2-1-3-13(12)11-16/h4-7,10-11H,1-3,8-9,19H2
InChIKeyVEMCXDAJQUKUGV-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine
CID 28966366
2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 63817525
[2-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine
CID 107532626
2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine
CID 63815036
2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81326172
2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine
CID 63820160
2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine
CID 63802635
2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline
CID 63599997
2-[5-fluoro-2-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102990405
1-[5-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]ethanone
CID 63531904
2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine
CID 63815572
5-[2-(bromomethyl)-5-chlorophenoxy]-2,3-dihydro-1H-indene
CID 107087384

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine (CID 63803303) is 2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine is NCCc1cc(F)ccc1Oc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine?
The InChIKey is VEMCXDAJQUKUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c18-15-5-7-17(14(10-15)8-9-19)20-16-6-4-12-2-1-3-13(12)11-16/h4-7,10-11H,1-3,8-9,19H2.
What are the key properties of 2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine?
2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine has a molecular weight of 271.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 63803303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).