2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile

C22H20N2O2 — CID 5123423

IUPAC2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile
SMILESCOc1ccccc1NC(C#N)c1ccccc1OCc1ccccc1
InChIInChI=1S/C22H20N2O2/c1-25-22-14-8-6-12-19(22)24-20(15-23)18-11-5-7-13-21(18)26-16-17-9-3-2-4-10-17/h2-14,20,24H,16H2,1H3
InChIKeyKYFXPHPBTUJULU-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.95
Rot. Bonds7

About 2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile

2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile (PubChem CID 5123423) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile
PubChem CID5123423
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile
SMILESCOc1ccccc1NC(C#N)c1ccccc1OCc1ccccc1
InChIInChI=1S/C22H20N2O2/c1-25-22-14-8-6-12-19(22)24-20(15-23)18-11-5-7-13-21(18)26-16-17-9-3-2-4-10-17/h2-14,20,24H,16H2,1H3
InChIKeyKYFXPHPBTUJULU-UHFFFAOYSA-N
XLogP4.95
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile?
The IUPAC name of 2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile (CID 5123423) is 2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile?
The canonical SMILES for 2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile is COc1ccccc1NC(C#N)c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile?
The InChIKey is KYFXPHPBTUJULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-25-22-14-8-6-12-19(22)24-20(15-23)18-11-5-7-13-21(18)26-16-17-9-3-2-4-10-17/h2-14,20,24H,16H2,1H3.
What are the key properties of 2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile?
2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile has a molecular weight of 344.41 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile is sourced from PubChem (CID 5123423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).