4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile

C15H13FN2O — CID 107686277

IUPAC4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile
SMILESN#Cc1ccc(COc2ccc(CN)cc2F)cc1
InChIInChI=1S/C15H13FN2O/c16-14-7-13(9-18)5-6-15(14)19-10-12-3-1-11(8-17)2-4-12/h1-7H,9-10,18H2
InChIKeyWZTBCMULNXYLFF-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.74
Rot. Bonds4

About 4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile

4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile (PubChem CID 107686277) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile
PubChem CID107686277
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile
SMILESN#Cc1ccc(COc2ccc(CN)cc2F)cc1
InChIInChI=1S/C15H13FN2O/c16-14-7-13(9-18)5-6-15(14)19-10-12-3-1-11(8-17)2-4-12/h1-7H,9-10,18H2
InChIKeyWZTBCMULNXYLFF-UHFFFAOYSA-N
XLogP2.74
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile 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-fluoro-4-[9-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]nonyl]phenoxy]methyl]benzonitrile
CID 90051551
4-[(2-fluoro-4-formylphenoxy)methyl]benzonitrile
CID 113338138
2-[4-(aminomethyl)-2-fluorophenoxy]acetonitrile
CID 107686306
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
4-[[4-(2-aminoethyl)-2-fluorophenoxy]methyl]-3-fluorobenzonitrile
CID 107692723
3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]-2-fluorobenzonitrile
CID 107686265
5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile
CID 103793487
4-[(2-fluoro-4-propanoylphenoxy)methyl]benzonitrile
CID 155087147
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337
4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorobenzonitrile
CID 107667707
4-[[4-(2,2-dimethylpropanoyl)-2-fluorophenoxy]methyl]benzonitrile
CID 155087139
4-[(2,3-difluorophenoxy)methyl]benzonitrile
CID 63036941

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile?
The IUPAC name of 4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile (CID 107686277) is 4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile.
What is the SMILES notation for 4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile?
The canonical SMILES for 4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile is N#Cc1ccc(COc2ccc(CN)cc2F)cc1.
What is the InChIKey of 4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile?
The InChIKey is WZTBCMULNXYLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-14-7-13(9-18)5-6-15(14)19-10-12-3-1-11(8-17)2-4-12/h1-7H,9-10,18H2.
What are the key properties of 4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile?
4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile has a molecular weight of 256.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile is sourced from PubChem (CID 107686277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).