2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile

C16H15ClN2O — CID 104816454

IUPAC2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile
SMILESCOc1cccc(Cl)c1C(C#N)Nc1ccccc1C
InChIInChI=1S/C16H15ClN2O/c1-11-6-3-4-8-13(11)19-14(10-18)16-12(17)7-5-9-15(16)20-2/h3-9,14,19H,1-2H3
InChIKeyKKRZEXRKTXZZSB-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.33
Rot. Bonds4

About 2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile

2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile (PubChem CID 104816454) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile
PubChem CID104816454
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile
SMILESCOc1cccc(Cl)c1C(C#N)Nc1ccccc1C
InChIInChI=1S/C16H15ClN2O/c1-11-6-3-4-8-13(11)19-14(10-18)16-12(17)7-5-9-15(16)20-2/h3-9,14,19H,1-2H3
InChIKeyKKRZEXRKTXZZSB-UHFFFAOYSA-N
XLogP4.33
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromoanilino)-2-(2-chloro-6-methoxyphenyl)acetonitrile
CID 104816447
2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylamino)acetonitrile
CID 104816442
2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile
CID 54887307
2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile
CID 104819014
2-[(2-chloro-6-methoxyphenyl)-hydroxymethyl]butanenitrile
CID 104819040
2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 104816461
2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile
CID 54887309
2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 114843485
(2S)-2-(2-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile
CID 936869
2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 54886939
2-(2-methoxyanilino)-2-(2-methyl-1,3-thiazol-4-yl)acetonitrile
CID 113472184
2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile
CID 61005424

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile (CID 104816454) is 2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile is COc1cccc(Cl)c1C(C#N)Nc1ccccc1C.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile?
The InChIKey is KKRZEXRKTXZZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-11-6-3-4-8-13(11)19-14(10-18)16-12(17)7-5-9-15(16)20-2/h3-9,14,19H,1-2H3.
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile?
2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile has a molecular weight of 286.76 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile is sourced from PubChem (CID 104816454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).