2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile

C15H22N2O2 — CID 115130626

IUPAC2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile
SMILESCOc1ccc(C(C)(C)CNC(C)C#N)cc1OC
InChIInChI=1S/C15H22N2O2/c1-11(9-16)17-10-15(2,3)12-6-7-13(18-4)14(8-12)19-5/h6-8,11,17H,10H2,1-5H3
InChIKeyWWGBHZOHMGUYDM-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.48
Rot. Bonds6

About 2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile

2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile (PubChem CID 115130626) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile.

Molecular Properties

Compound Name2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile
PubChem CID115130626
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile
SMILESCOc1ccc(C(C)(C)CNC(C)C#N)cc1OC
InChIInChI=1S/C15H22N2O2/c1-11(9-16)17-10-15(2,3)12-6-7-13(18-4)14(8-12)19-5/h6-8,11,17H,10H2,1-5H3
InChIKeyWWGBHZOHMGUYDM-UHFFFAOYSA-N
XLogP2.48
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]propanenitrile
CID 115130700
2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62595876
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
CID 62595328
2-[[2-(2-chloro-4-methoxyphenyl)-2-methylpropyl]amino]propanenitrile
CID 115130668
2-[[2-(3-chloro-4-methoxyphenyl)-2-methylpropyl]amino]acetonitrile
CID 115131477
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-fluoro-4-methoxyaniline
CID 110452442
N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197549
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide
CID 111105582
2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine
CID 105424304
4-[[2-(4-methoxy-3-methylphenyl)-2-methylpropyl]amino]butanenitrile
CID 115232114
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]pyridin-3-amine
CID 82538489
1-(2-cyanophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213830

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile?
The IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile (CID 115130626) is 2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile.
What is the SMILES notation for 2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile?
The canonical SMILES for 2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile is COc1ccc(C(C)(C)CNC(C)C#N)cc1OC.
What is the InChIKey of 2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile?
The InChIKey is WWGBHZOHMGUYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(9-16)17-10-15(2,3)12-6-7-13(18-4)14(8-12)19-5/h6-8,11,17H,10H2,1-5H3.
What are the key properties of 2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile?
2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile has a molecular weight of 262.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile is sourced from PubChem (CID 115130626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).