3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine

C15H25NO2 — CID 81023243

IUPAC3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNCCC(C)(C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO2/c1-6-16-10-9-15(2,3)13-8-7-12(17-4)11-14(13)18-5/h7-8,11,16H,6,9-10H2,1-5H3
InChIKeyPDCYGXSAPUFAHE-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.98
Rot. Bonds7

About 3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine

3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine (PubChem CID 81023243) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine
PubChem CID81023243
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNCCC(C)(C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO2/c1-6-16-10-9-15(2,3)13-8-7-12(17-4)11-14(13)18-5/h7-8,11,16H,6,9-10H2,1-5H3
InChIKeyPDCYGXSAPUFAHE-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol
CID 62774366
1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene
CID 82081448
3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79831012
(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
CID 97048528
N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 62664941
N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215620
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
1-(1,1-difluoropropyl)-2,4-dimethoxybenzene
CID 116841246
2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060
3-(5-bromo-2-ethoxyphenyl)-N-ethyl-3-methylbutan-1-amine
CID 79829866
2-(2,4-dimethoxyphenyl)-1-methoxypropan-2-amine
CID 62801794
N-ethyl-2-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 115005597

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine (CID 81023243) is 3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine is CCNCCC(C)(C)c1ccc(OC)cc1OC.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine?
The InChIKey is PDCYGXSAPUFAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-16-10-9-15(2,3)13-8-7-12(17-4)11-14(13)18-5/h7-8,11,16H,6,9-10H2,1-5H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine?
3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 81023243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).