2-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile

C16H24N2O — CID 115130700

IUPAC2-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile
SMILESCOc1c(C)cc(C(C)(C)CNC(C)C#N)cc1C
InChIInChI=1S/C16H24N2O/c1-11-7-14(8-12(2)15(11)19-6)16(4,5)10-18-13(3)9-17/h7-8,13,18H,10H2,1-6H3
InChIKeyJVXFNFLDDSRRKA-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.09
Rot. Bonds5

About 2-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile

2-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile (PubChem CID 115130700) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile.

Molecular Properties

Compound Name2-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile
PubChem CID115130700
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile
SMILESCOc1c(C)cc(C(C)(C)CNC(C)C#N)cc1C
InChIInChI=1S/C16H24N2O/c1-11-7-14(8-12(2)15(11)19-6)16(4,5)10-18-13(3)9-17/h7-8,13,18H,10H2,1-6H3
InChIKeyJVXFNFLDDSRRKA-UHFFFAOYSA-N
XLogP3.09
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile
CID 115130626
2-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanenitrile
CID 115130612
3-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile
CID 115231394
2-[[2-(2-chloro-4-methoxyphenyl)-2-methylpropyl]amino]propanenitrile
CID 115130668
2-[(4-methoxy-3,5-dimethylanilino)methyl]-3-methylbutanenitrile
CID 115254301
[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]carbamothioic S-acid
CID 115170590
2-[(2-methoxy-2-methylpropyl)amino]propanenitrile
CID 104760516
2-amino-N-[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]acetamide
CID 115151864
5-(4-chloro-2-methylbutan-2-yl)-2-methoxy-1,3-dimethylbenzene
CID 83068458
2-[[2-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propyl]amino]propanenitrile
CID 115130684
2-[(4-methoxy-2,5-dimethylphenyl)methylamino]propanenitrile
CID 115130132
2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62596445

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile?
The IUPAC name of 2-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile (CID 115130700) is 2-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile.
What is the SMILES notation for 2-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile?
The canonical SMILES for 2-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile is COc1c(C)cc(C(C)(C)CNC(C)C#N)cc1C.
What is the InChIKey of 2-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile?
The InChIKey is JVXFNFLDDSRRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-7-14(8-12(2)15(11)19-6)16(4,5)10-18-13(3)9-17/h7-8,13,18H,10H2,1-6H3.
What are the key properties of 2-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile?
2-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile has a molecular weight of 260.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile is sourced from PubChem (CID 115130700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).