2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile

C15H12ClFN2O — CID 107902675

IUPAC2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1COc1ccc(Cl)cc1CN
InChIInChI=1S/C15H12ClFN2O/c16-13-2-4-15(11(5-13)8-19)20-9-12-6-14(17)3-1-10(12)7-18/h1-6H,8-9,19H2
InChIKeyYGCWMPGFCJVTAF-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.39
Rot. Bonds4

About 2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile

2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile (PubChem CID 107902675) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile
PubChem CID107902675
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1COc1ccc(Cl)cc1CN
InChIInChI=1S/C15H12ClFN2O/c16-13-2-4-15(11(5-13)8-19)20-9-12-6-14(17)3-1-10(12)7-18/h1-6H,8-9,19H2
InChIKeyYGCWMPGFCJVTAF-UHFFFAOYSA-N
XLogP3.39
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-aminoethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107906833
2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile
CID 60880021
2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile
CID 103760279
2-[[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107902706
2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile
CID 103759928
2-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107906213
2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107906244
[5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine
CID 104791271
[2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine
CID 103046384
4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile
CID 103759966
4-fluoro-2-[[4-methyl-2-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 107902701
2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene
CID 107698978

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile?
The IUPAC name of 2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile (CID 107902675) is 2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile.
What is the SMILES notation for 2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile?
The canonical SMILES for 2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile is N#Cc1ccc(F)cc1COc1ccc(Cl)cc1CN.
What is the InChIKey of 2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile?
The InChIKey is YGCWMPGFCJVTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c16-13-2-4-15(11(5-13)8-19)20-9-12-6-14(17)3-1-10(12)7-18/h1-6H,8-9,19H2.
What are the key properties of 2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile?
2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile has a molecular weight of 290.73 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile is sourced from PubChem (CID 107902675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).