2-[3-[(5-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile

C16H15FN2O — CID 103960910

IUPAC2-[3-[(5-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile
SMILESCc1ccc(F)cc1CNc1cccc(OCC#N)c1
InChIInChI=1S/C16H15FN2O/c1-12-5-6-14(17)9-13(12)11-19-15-3-2-4-16(10-15)20-8-7-18/h2-6,9-10,19H,8,11H2,1H3
InChIKeyZILJHKVCLDHJQF-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.65
Rot. Bonds5

About 2-[3-[(5-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile

2-[3-[(5-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile (PubChem CID 103960910) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[3-[(5-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[3-[(5-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile
PubChem CID103960910
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-[3-[(5-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile
SMILESCc1ccc(F)cc1CNc1cccc(OCC#N)c1
InChIInChI=1S/C16H15FN2O/c1-12-5-6-14(17)9-13(12)11-19-15-3-2-4-16(10-15)20-8-7-18/h2-6,9-10,19H,8,11H2,1H3
InChIKeyZILJHKVCLDHJQF-UHFFFAOYSA-N
XLogP3.65
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(4-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile
CID 62136451
2-[3-[(2,5-difluorophenyl)methylamino]phenoxy]acetonitrile
CID 43721091
2-[3-[(3,4-dimethylphenyl)methylamino]phenoxy]acetonitrile
CID 43786086
2-[3-[(5-bromo-2-fluorophenyl)methylamino]phenoxy]acetonitrile
CID 43721105
2-[3-[(5-bromo-2-methoxyphenyl)methylamino]phenoxy]acetonitrile
CID 43721191
2-[3-[(2,4-dichlorophenyl)methylamino]phenoxy]acetonitrile
CID 43721151
2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile
CID 43721153
4-[3-[(2-methylphenyl)methylamino]phenoxy]butanenitrile
CID 60943112
2-[3-(5-aminopentylamino)phenoxy]acetonitrile
CID 59231148
2-[3-[(4-propan-2-ylphenyl)methylamino]phenoxy]acetonitrile
CID 43721163
[3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea
CID 103944178
2-[3-[(3,4-dihydroxyphenyl)methylamino]phenoxy]acetonitrile
CID 43721156

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile?
The IUPAC name of 2-[3-[(5-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile (CID 103960910) is 2-[3-[(5-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile.
What is the SMILES notation for 2-[3-[(5-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile?
The canonical SMILES for 2-[3-[(5-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile is Cc1ccc(F)cc1CNc1cccc(OCC#N)c1.
What is the InChIKey of 2-[3-[(5-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile?
The InChIKey is ZILJHKVCLDHJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-12-5-6-14(17)9-13(12)11-19-15-3-2-4-16(10-15)20-8-7-18/h2-6,9-10,19H,8,11H2,1H3.
What are the key properties of 2-[3-[(5-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile?
2-[3-[(5-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile has a molecular weight of 270.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile is sourced from PubChem (CID 103960910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).