4-[[2-(aminomethyl)-6-fluorophenoxy]methyl]-3-fluorobenzonitrile

C15H12F2N2O — CID 115952042

IUPAC4-[[2-(aminomethyl)-6-fluorophenoxy]methyl]-3-fluorobenzonitrile
SMILESN#Cc1ccc(COc2c(F)cccc2CN)c(F)c1
InChIInChI=1S/C15H12F2N2O/c16-13-3-1-2-11(8-19)15(13)20-9-12-5-4-10(7-18)6-14(12)17/h1-6H,8-9,19H2
InChIKeyHQISVMRIDDOSCQ-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.87
Rot. Bonds4

About 4-[[2-(aminomethyl)-6-fluorophenoxy]methyl]-3-fluorobenzonitrile

4-[[2-(aminomethyl)-6-fluorophenoxy]methyl]-3-fluorobenzonitrile (PubChem CID 115952042) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)-6-fluorophenoxy]methyl]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[[2-(aminomethyl)-6-fluorophenoxy]methyl]-3-fluorobenzonitrile
PubChem CID115952042
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name4-[[2-(aminomethyl)-6-fluorophenoxy]methyl]-3-fluorobenzonitrile
SMILESN#Cc1ccc(COc2c(F)cccc2CN)c(F)c1
InChIInChI=1S/C15H12F2N2O/c16-13-3-1-2-11(8-19)15(13)20-9-12-5-4-10(7-18)6-14(12)17/h1-6H,8-9,19H2
InChIKeyHQISVMRIDDOSCQ-UHFFFAOYSA-N
XLogP2.87
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(aminomethyl)-6-fluorophenoxy]methyl]-3-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(aminomethyl)-6-methylphenoxy]methyl]-3-fluorobenzonitrile
CID 115951804
[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 114848317
3-fluoro-4-[(2-fluoro-6-nitrophenoxy)methyl]benzonitrile
CID 104831710
3-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-fluorobenzonitrile
CID 115956787
4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzonitrile
CID 115956515
2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile
CID 43609088
4-fluoro-3-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 115952532
4-[(3-amino-2-methylphenoxy)methyl]-3-fluorobenzonitrile
CID 43437885
4-[[6-(2-aminoethyl)-3-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 79799520
3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]-4-fluorobenzonitrile
CID 61392006
[2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607460
4-amino-3-[(2-fluorophenyl)methoxy]benzonitrile
CID 113444327

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)-6-fluorophenoxy]methyl]-3-fluorobenzonitrile?
The IUPAC name of 4-[[2-(aminomethyl)-6-fluorophenoxy]methyl]-3-fluorobenzonitrile (CID 115952042) is 4-[[2-(aminomethyl)-6-fluorophenoxy]methyl]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[[2-(aminomethyl)-6-fluorophenoxy]methyl]-3-fluorobenzonitrile?
The canonical SMILES for 4-[[2-(aminomethyl)-6-fluorophenoxy]methyl]-3-fluorobenzonitrile is N#Cc1ccc(COc2c(F)cccc2CN)c(F)c1.
What is the InChIKey of 4-[[2-(aminomethyl)-6-fluorophenoxy]methyl]-3-fluorobenzonitrile?
The InChIKey is HQISVMRIDDOSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c16-13-3-1-2-11(8-19)15(13)20-9-12-5-4-10(7-18)6-14(12)17/h1-6H,8-9,19H2.
What are the key properties of 4-[[2-(aminomethyl)-6-fluorophenoxy]methyl]-3-fluorobenzonitrile?
4-[[2-(aminomethyl)-6-fluorophenoxy]methyl]-3-fluorobenzonitrile has a molecular weight of 274.27 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)-6-fluorophenoxy]methyl]-3-fluorobenzonitrile is sourced from PubChem (CID 115952042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).