2-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)acetonitrile

C16H15FN2O — CID 82019858

IUPAC2-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)NCc2ccccc2F)cc1
InChIInChI=1S/C16H15FN2O/c1-20-14-8-6-12(7-9-14)16(10-18)19-11-13-4-2-3-5-15(13)17/h2-9,16,19H,11H2,1H3
InChIKeyIVDBJNXMGWKMEZ-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.19
Rot. Bonds5

About 2-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)acetonitrile

2-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)acetonitrile (PubChem CID 82019858) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)acetonitrile
PubChem CID82019858
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)NCc2ccccc2F)cc1
InChIInChI=1S/C16H15FN2O/c1-20-14-8-6-12(7-9-14)16(10-18)19-11-13-4-2-3-5-15(13)17/h2-9,16,19H,11H2,1H3
InChIKeyIVDBJNXMGWKMEZ-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenyl)methylamino]-2-(3-methoxyphenyl)acetonitrile
CID 82019839
2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile
CID 82019759
(2R)-2-[3-[[(S)-cyano-(4-methoxyphenyl)methyl]amino]propylamino]-2-(4-methoxyphenyl)acetonitrile
CID 92533323
2-(4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetonitrile
CID 84817126
(2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile
CID 28699549
(2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile
CID 101059199
(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile
CID 899635
2-[2-(dimethylamino)ethylamino]-2-(4-methoxyphenyl)acetonitrile
CID 54889344
2-(2-fluorophenyl)-1-(4-methoxyphenyl)ethanol
CID 15650401
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860
4-fluoro-3-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]benzonitrile
CID 81368640
2-(4-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile;hydrochloride
CID 11845550

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)acetonitrile?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)acetonitrile (CID 82019858) is 2-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)acetonitrile.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)acetonitrile?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)acetonitrile is COc1ccc(C(C#N)NCc2ccccc2F)cc1.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)acetonitrile?
The InChIKey is IVDBJNXMGWKMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-20-14-8-6-12(7-9-14)16(10-18)19-11-13-4-2-3-5-15(13)17/h2-9,16,19H,11H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)acetonitrile?
2-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)acetonitrile has a molecular weight of 270.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)acetonitrile is sourced from PubChem (CID 82019858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).