2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile

C15H22N2O — CID 115129156

IUPAC2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile
SMILESCOc1cc(C(C)C)ccc1N(C)C(C)(C)C#N
InChIInChI=1S/C15H22N2O/c1-11(2)12-7-8-13(14(9-12)18-6)17(5)15(3,4)10-16/h7-9,11H,1-6H3
InChIKeyOTGKVPCCYFMJBW-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.56
Rot. Bonds4

About 2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile

2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile (PubChem CID 115129156) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile
PubChem CID115129156
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile
SMILESCOc1cc(C(C)C)ccc1N(C)C(C)(C)C#N
InChIInChI=1S/C15H22N2O/c1-11(2)12-7-8-13(14(9-12)18-6)17(5)15(3,4)10-16/h7-9,11H,1-6H3
InChIKeyOTGKVPCCYFMJBW-UHFFFAOYSA-N
XLogP3.56
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-dimethoxy-N,2-dimethylanilino)-2-methylpropanenitrile
CID 115129166
3-(dimethylamino)-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile
CID 116909931
2-methoxy-4-propan-2-ylbenzonitrile
CID 82490541
2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde
CID 115222785
N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 98784055
N'-(2-methoxy-4-propan-2-ylphenyl)-N'-methylbutane-1,4-diamine
CID 115201118
2-[[2-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropyl]amino]acetonitrile
CID 115131524
2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide
CID 115179737
5-bromo-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridin-2-amine
CID 115146592
2-methoxy-N-(3-methylbutyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline
CID 70881827
2-(2-methoxy-5-propan-2-ylphenyl)ethyl-methylcyanamide
CID 117043469
1-ethenyl-2-methoxy-4-propan-2-ylbenzene
CID 67419573

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile?
The IUPAC name of 2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile (CID 115129156) is 2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile.
What is the SMILES notation for 2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile?
The canonical SMILES for 2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile is COc1cc(C(C)C)ccc1N(C)C(C)(C)C#N.
What is the InChIKey of 2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile?
The InChIKey is OTGKVPCCYFMJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)12-7-8-13(14(9-12)18-6)17(5)15(3,4)10-16/h7-9,11H,1-6H3.
What are the key properties of 2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile?
2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile has a molecular weight of 246.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile is sourced from PubChem (CID 115129156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).