5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methylphenyl)pentanenitrile

C23H30N2O2 — CID 4074809

IUPAC5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methylphenyl)pentanenitrile
SMILESCOc1ccc(CCN(C)CCCC(C#N)c2ccccc2C)cc1OC
InChIInChI=1S/C23H30N2O2/c1-18-8-5-6-10-21(18)20(17-24)9-7-14-25(2)15-13-19-11-12-22(26-3)23(16-19)27-4/h5-6,8,10-12,16,20H,7,9,13-15H2,1-4H3
InChIKeyRUVKGJRDWNRUPP-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.57
Rot. Bonds10

About 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methylphenyl)pentanenitrile

5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methylphenyl)pentanenitrile (PubChem CID 4074809) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methylphenyl)pentanenitrile.

Molecular Properties

Compound Name5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methylphenyl)pentanenitrile
PubChem CID4074809
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methylphenyl)pentanenitrile
SMILESCOc1ccc(CCN(C)CCCC(C#N)c2ccccc2C)cc1OC
InChIInChI=1S/C23H30N2O2/c1-18-8-5-6-10-21(18)20(17-24)9-7-14-25(2)15-13-19-11-12-22(26-3)23(16-19)27-4/h5-6,8,10-12,16,20H,7,9,13-15H2,1-4H3
InChIKeyRUVKGJRDWNRUPP-UHFFFAOYSA-N
XLogP4.57
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
CID 141355192
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanenitrile
CID 10083361
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propane-1-thiol
CID 115225219
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-N',N'-diphenylpropane-1,3-diamine
CID 54241094
3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile
CID 82141674
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43823384
2-(5-chloro-2-methoxyphenyl)-5-phenylpentanenitrile
CID 82137909
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrate;hydrochloride
CID 23581799
5-(3-methoxyphenoxy)-2-(2-methylphenyl)pentanenitrile
CID 82137321
(2S)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(3-ethoxyphenyl)-2-propan-2-ylpentanenitrile
CID 70372205
3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)propanenitrile
CID 82140609

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methylphenyl)pentanenitrile?
The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methylphenyl)pentanenitrile (CID 4074809) is 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methylphenyl)pentanenitrile.
What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methylphenyl)pentanenitrile?
The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methylphenyl)pentanenitrile is COc1ccc(CCN(C)CCCC(C#N)c2ccccc2C)cc1OC.
What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methylphenyl)pentanenitrile?
The InChIKey is RUVKGJRDWNRUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18-8-5-6-10-21(18)20(17-24)9-7-14-25(2)15-13-19-11-12-22(26-3)23(16-19)27-4/h5-6,8,10-12,16,20H,7,9,13-15H2,1-4H3.
What are the key properties of 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methylphenyl)pentanenitrile?
5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methylphenyl)pentanenitrile has a molecular weight of 366.51 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methylphenyl)pentanenitrile is sourced from PubChem (CID 4074809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).