2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile

C14H21N3O — CID 81300198

IUPAC2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(NCC(C)(C)N(C)C)c1
InChIInChI=1S/C14H21N3O/c1-14(2,17(3)4)10-16-13-8-12(18-5)7-6-11(13)9-15/h6-8,16H,10H2,1-5H3
InChIKeyAWKWMVDGIATAFF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.32
Rot. Bonds5

About 2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile

2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile (PubChem CID 81300198) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile
PubChem CID81300198
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(NCC(C)(C)N(C)C)c1
InChIInChI=1S/C14H21N3O/c1-14(2,17(3)4)10-16-13-8-12(18-5)7-6-11(13)9-15/h6-8,16H,10H2,1-5H3
InChIKeyAWKWMVDGIATAFF-UHFFFAOYSA-N
XLogP2.32
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methoxybenzonitrile
CID 81300058
2-[(2-hydroxy-2-methylpropyl)amino]-4-methoxybenzonitrile
CID 81303362
2-(ethylamino)-4-methoxybenzonitrile
CID 14388672
2-[(3-amino-2,2-difluoropropyl)amino]-4-methoxybenzonitrile
CID 114384341
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-4-methoxybenzonitrile
CID 106145010
2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile
CID 83016723
4-methoxy-2-(2-methoxyethylamino)benzonitrile
CID 81298922
4-methoxy-2-(prop-2-enylamino)benzonitrile
CID 81299028
2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methoxybenzonitrile
CID 83111910
2-[[2-(dimethylamino)-2-methylpropyl]amino]-5-methylbenzonitrile
CID 107927307
4-methoxy-2-(5-methoxypentylamino)benzonitrile
CID 114130567
ethyl 2-(2-cyano-5-methoxyanilino)acetate
CID 81299411

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile?
The IUPAC name of 2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile (CID 81300198) is 2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile?
The canonical SMILES for 2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile is COc1ccc(C#N)c(NCC(C)(C)N(C)C)c1.
What is the InChIKey of 2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile?
The InChIKey is AWKWMVDGIATAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,17(3)4)10-16-13-8-12(18-5)7-6-11(13)9-15/h6-8,16H,10H2,1-5H3.
What are the key properties of 2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile?
2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile has a molecular weight of 247.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile is sourced from PubChem (CID 81300198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).