2-[(2-fluorophenyl)methylamino]-2-(3-methoxyphenyl)acetonitrile

C16H15FN2O — CID 82019839

IUPAC2-[(2-fluorophenyl)methylamino]-2-(3-methoxyphenyl)acetonitrile
SMILESCOc1cccc(C(C#N)NCc2ccccc2F)c1
InChIInChI=1S/C16H15FN2O/c1-20-14-7-4-6-12(9-14)16(10-18)19-11-13-5-2-3-8-15(13)17/h2-9,16,19H,11H2,1H3
InChIKeyIHRXHAHADPYACU-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.19
Rot. Bonds5

About 2-[(2-fluorophenyl)methylamino]-2-(3-methoxyphenyl)acetonitrile

2-[(2-fluorophenyl)methylamino]-2-(3-methoxyphenyl)acetonitrile (PubChem CID 82019839) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]-2-(3-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]-2-(3-methoxyphenyl)acetonitrile
PubChem CID82019839
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-[(2-fluorophenyl)methylamino]-2-(3-methoxyphenyl)acetonitrile
SMILESCOc1cccc(C(C#N)NCc2ccccc2F)c1
InChIInChI=1S/C16H15FN2O/c1-20-14-7-4-6-12(9-14)16(10-18)19-11-13-5-2-3-8-15(13)17/h2-9,16,19H,11H2,1H3
InChIKeyIHRXHAHADPYACU-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-(4-methoxyphenyl)acetonitrile
CID 82019858
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376568
2-(cyclopropylmethylamino)-2-(3-methoxyphenyl)acetonitrile
CID 60997226
2-(3-methoxyphenyl)-2-(3-methylbutylamino)acetonitrile
CID 112500762
methyl 2-[[cyano-(3-methoxyphenyl)methyl]amino]acetate
CID 112500761
2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile
CID 82019759
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 103954655
2-(2-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 6470392
2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile
CID 60990435
(1S)-N-[(2,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81375876
2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 62606417
(1S)-N-[(2,6-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376003

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]-2-(3-methoxyphenyl)acetonitrile?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]-2-(3-methoxyphenyl)acetonitrile (CID 82019839) is 2-[(2-fluorophenyl)methylamino]-2-(3-methoxyphenyl)acetonitrile.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]-2-(3-methoxyphenyl)acetonitrile?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]-2-(3-methoxyphenyl)acetonitrile is COc1cccc(C(C#N)NCc2ccccc2F)c1.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]-2-(3-methoxyphenyl)acetonitrile?
The InChIKey is IHRXHAHADPYACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-20-14-7-4-6-12(9-14)16(10-18)19-11-13-5-2-3-8-15(13)17/h2-9,16,19H,11H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methylamino]-2-(3-methoxyphenyl)acetonitrile?
2-[(2-fluorophenyl)methylamino]-2-(3-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-(3-methoxyphenyl)acetonitrile is sourced from PubChem (CID 82019839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).