2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]-4-fluorobenzonitrile

C17H15FN2O — CID 107902761

IUPAC2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1COc1ccc2c(c1)CCC2N
InChIInChI=1S/C17H15FN2O/c18-14-3-1-12(9-19)13(7-14)10-21-15-4-5-16-11(8-15)2-6-17(16)20/h1,3-5,7-8,17H,2,6,10,20H2
InChIKeyWEBALLXUBLGJPW-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.22
Rot. Bonds3

About 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]-4-fluorobenzonitrile

2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]-4-fluorobenzonitrile (PubChem CID 107902761) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]-4-fluorobenzonitrile
PubChem CID107902761
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1COc1ccc2c(c1)CCC2N
InChIInChI=1S/C17H15FN2O/c18-14-3-1-12(9-19)13(7-14)10-21-15-4-5-16-11(8-15)2-6-17(16)20/h1,3-5,7-8,17H,2,6,10,20H2
InChIKeyWEBALLXUBLGJPW-UHFFFAOYSA-N
XLogP3.22
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683060
4-fluoro-2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]benzonitrile
CID 103760042
2-(1,3-benzodioxol-5-yloxymethyl)-4-fluorobenzonitrile
CID 103759935
2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile
CID 103759928
5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 16666328
4-fluoro-2-[(3-iodophenoxy)methyl]benzonitrile
CID 114014305
2-[[4-bromo-3-(bromomethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107906263
(1R)-5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 106263043
5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107682901
(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 70817218
5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684733
2-[[4-(1-aminoethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107902665

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]-4-fluorobenzonitrile?
The IUPAC name of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]-4-fluorobenzonitrile (CID 107902761) is 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]-4-fluorobenzonitrile.
What is the SMILES notation for 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]-4-fluorobenzonitrile?
The canonical SMILES for 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]-4-fluorobenzonitrile is N#Cc1ccc(F)cc1COc1ccc2c(c1)CCC2N.
What is the InChIKey of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]-4-fluorobenzonitrile?
The InChIKey is WEBALLXUBLGJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-14-3-1-12(9-19)13(7-14)10-21-15-4-5-16-11(8-15)2-6-17(16)20/h1,3-5,7-8,17H,2,6,10,20H2.
What are the key properties of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]-4-fluorobenzonitrile?
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]-4-fluorobenzonitrile has a molecular weight of 282.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]-4-fluorobenzonitrile is sourced from PubChem (CID 107902761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).