4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine

C13H21NO2 — CID 91666775

IUPAC4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine
SMILESCOc1ccc(CCC(C)(C)N)cc1OC
InChIInChI=1S/C13H21NO2/c1-13(2,14)8-7-10-5-6-11(15-3)12(9-10)16-4/h5-6,9H,7-8,14H2,1-4H3
InChIKeyLNEYJRHBCCQGSL-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.37
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine

4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine (PubChem CID 91666775) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine
PubChem CID91666775
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine
SMILESCOc1ccc(CCC(C)(C)N)cc1OC
InChIInChI=1S/C13H21NO2/c1-13(2,14)8-7-10-5-6-11(15-3)12(9-10)16-4/h5-6,9H,7-8,14H2,1-4H3
InChIKeyLNEYJRHBCCQGSL-UHFFFAOYSA-N
XLogP2.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene
CID 134479395
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CID 115136241
4-(3,4-dimethoxyphenyl)-2,2-dimethylbutanoic acid
CID 65298131
1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503243
4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine
CID 116924817
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60689759
4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine
CID 96659154
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
2-(3,4-dimethoxyphenyl)ethylhydrazine
CID 18070259
4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
CID 13133800

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine (CID 91666775) is 4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine is COc1ccc(CCC(C)(C)N)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine?
The InChIKey is LNEYJRHBCCQGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,14)8-7-10-5-6-11(15-3)12(9-10)16-4/h5-6,9H,7-8,14H2,1-4H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine?
4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine is sourced from PubChem (CID 91666775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).