2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile

C16H16N2O2 — CID 60990435

IUPAC2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile
SMILESCOc1cccc(NC(C#N)c2cccc(OC)c2)c1
InChIInChI=1S/C16H16N2O2/c1-19-14-7-3-5-12(9-14)16(11-17)18-13-6-4-8-15(10-13)20-2/h3-10,16,18H,1-2H3
InChIKeyHJDTYRJAUPLEAX-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.38
Rot. Bonds5

About 2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile

2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile (PubChem CID 60990435) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile
PubChem CID60990435
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile
SMILESCOc1cccc(NC(C#N)c2cccc(OC)c2)c1
InChIInChI=1S/C16H16N2O2/c1-19-14-7-3-5-12(9-14)16(11-17)18-13-6-4-8-15(10-13)20-2/h3-10,16,18H,1-2H3
InChIKeyHJDTYRJAUPLEAX-UHFFFAOYSA-N
XLogP3.38
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloroanilino)-2-(3-methoxyphenyl)acetonitrile
CID 54887016
2-(3-methoxyanilino)-2-(3,4,5-trifluorophenyl)acetonitrile
CID 63075570
2-(3-bromo-4-methoxyphenyl)-2-(3-methoxyanilino)acetonitrile
CID 61037824
2-(3,5-dimethoxyphenyl)-2-(3-fluoroanilino)acetonitrile
CID 60990264
2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61212447
3-[cyano-(4-methoxyanilino)methyl]benzonitrile
CID 60987197
2-(3-methoxyanilino)-2-(1,3-thiazol-4-yl)acetonitrile
CID 113472182
(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile
CID 899635
3-ethyl-2-(3-methoxyanilino)pentanenitrile
CID 61318903
3-(3-methoxyanilino)-3-phenylpropanenitrile
CID 62779366
2-(cyclopropylmethylamino)-2-(3-methoxyphenyl)acetonitrile
CID 60997226
2-(3-methoxyphenyl)-2-(3-methylbutylamino)acetonitrile
CID 112500762

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile?
The IUPAC name of 2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile (CID 60990435) is 2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile?
The canonical SMILES for 2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile is COc1cccc(NC(C#N)c2cccc(OC)c2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile?
The InChIKey is HJDTYRJAUPLEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-19-14-7-3-5-12(9-14)16(11-17)18-13-6-4-8-15(10-13)20-2/h3-10,16,18H,1-2H3.
What are the key properties of 2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile?
2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile has a molecular weight of 268.32 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile is sourced from PubChem (CID 60990435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).