2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine

C15H25NO2 — CID 79298936

IUPAC2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine
SMILESCNC(C(C)C)C(C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO2/c1-10(2)15(16-4)11(3)13-8-7-12(17-5)9-14(13)18-6/h7-11,15-16H,1-6H3
InChIKeyYTMZKKMGXYSLMI-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.05
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine

2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine (PubChem CID 79298936) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine
PubChem CID79298936
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine
SMILESCNC(C(C)C)C(C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO2/c1-10(2)15(16-4)11(3)13-8-7-12(17-5)9-14(13)18-6/h7-11,15-16H,1-6H3
InChIKeyYTMZKKMGXYSLMI-UHFFFAOYSA-N
XLogP3.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-(3-bromo-4-methylpentan-2-yl)-2,4-dimethoxybenzene
CID 79298002
1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859416
1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 116962062
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480
3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971
1-(2,4-dimethoxyphenyl)ethanethiol
CID 43124104
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
3-(2,4-dimethoxyphenyl)-N-methylbutan-1-amine
CID 79018777
[1-(2,4-dimethoxyphenyl)-2,3-dimethylbutyl]hydrazine
CID 105304556
2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine
CID 83050394
3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953323

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine (CID 79298936) is 2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine is CNC(C(C)C)C(C)c1ccc(OC)cc1OC.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine?
The InChIKey is YTMZKKMGXYSLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10(2)15(16-4)11(3)13-8-7-12(17-5)9-14(13)18-6/h7-11,15-16H,1-6H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine?
2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine has a molecular weight of 251.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine is sourced from PubChem (CID 79298936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).