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

C17H15FN2O — CID 107114252

IUPAC3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-2-fluorobenzonitrile
SMILESN#Cc1cccc(COc2cccc3c2CCC3N)c1F
InChIInChI=1S/C17H15FN2O/c18-17-11(9-19)3-1-4-12(17)10-21-16-6-2-5-13-14(16)7-8-15(13)20/h1-6,15H,7-8,10,20H2
InChIKeyAWEGOUNWAFPJCC-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.22
Rot. Bonds3

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

3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-2-fluorobenzonitrile (PubChem CID 107114252) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-2-fluorobenzonitrile
PubChem CID107114252
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-2-fluorobenzonitrile
SMILESN#Cc1cccc(COc2cccc3c2CCC3N)c1F
InChIInChI=1S/C17H15FN2O/c18-17-11(9-19)3-1-4-12(17)10-21-16-6-2-5-13-14(16)7-8-15(13)20/h1-6,15H,7-8,10,20H2
InChIKeyAWEGOUNWAFPJCC-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

4-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-3-fluorobenzonitrile
CID 63090985
4-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-3-methylbenzonitrile
CID 114479486
4-[(2-chloro-5-fluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 102615215
1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 55292008
2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile
CID 103886696
5-[(2,4-difluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454214
5-[(5-fluoro-2-methylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 105370357
3-[(3-aminocyclopentyl)oxymethyl]-2-fluorobenzonitrile
CID 107118742
3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]-2-fluorobenzonitrile
CID 107686265
3-[(4-amino-2-chlorophenoxy)methyl]-2-fluorobenzonitrile
CID 107113722
3-[(2-amino-4-methylphenoxy)methyl]-2-fluorobenzonitrile
CID 107113741
3-fluoro-4-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxymethyl]benzonitrile
CID 60728066

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-2-fluorobenzonitrile?
The IUPAC name of 3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-2-fluorobenzonitrile (CID 107114252) is 3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-2-fluorobenzonitrile.
What is the SMILES notation for 3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-2-fluorobenzonitrile?
The canonical SMILES for 3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-2-fluorobenzonitrile is N#Cc1cccc(COc2cccc3c2CCC3N)c1F.
What is the InChIKey of 3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-2-fluorobenzonitrile?
The InChIKey is AWEGOUNWAFPJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-17-11(9-19)3-1-4-12(17)10-21-16-6-2-5-13-14(16)7-8-15(13)20/h1-6,15H,7-8,10,20H2.
What are the key properties of 3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-2-fluorobenzonitrile?
3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-2-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 3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-2-fluorobenzonitrile is sourced from PubChem (CID 107114252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).