1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-amine

C15H25NO3 — CID 116724315

IUPAC1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCOc1ccc(C(N)C(OC)C(C)(C)C)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-15(2,3)14(19-6)13(16)11-8-7-10(17-4)9-12(11)18-5/h7-9,13-14H,16H2,1-6H3
InChIKeyVZDKUZJRQGYJOG-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.76
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-amine

1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-amine (PubChem CID 116724315) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-amine
PubChem CID116724315
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCOc1ccc(C(N)C(OC)C(C)(C)C)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-15(2,3)14(19-6)13(16)11-8-7-10(17-4)9-12(11)18-5/h7-9,13-14H,16H2,1-6H3
InChIKeyVZDKUZJRQGYJOG-UHFFFAOYSA-N
XLogP2.76
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol
CID 116713087
1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine
CID 79616909
(1S,2R)-1-amino-1-(2,4-dimethoxyphenyl)-3-methylbutan-2-ol
CID 96592127
2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid
CID 116942209
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
2-[amino-(2,4-dimethoxyphenyl)methyl]butanoic acid
CID 116945062
[1-(2,4-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine
CID 105203197
1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine
CID 82985587
[1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine
CID 105273908
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480
1-(2,4-dimethoxyphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116945878
1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-ol
CID 116713378

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-amine (CID 116724315) is 1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-amine is COc1ccc(C(N)C(OC)C(C)(C)C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-amine?
The InChIKey is VZDKUZJRQGYJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,3)14(19-6)13(16)11-8-7-10(17-4)9-12(11)18-5/h7-9,13-14H,16H2,1-6H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-amine?
1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 116724315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).