1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine

C16H27NO3 — CID 116758051

IUPAC1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1cc(OC)ccc1OC)C(C)(CC)OC
InChIInChI=1S/C16H27NO3/c1-7-16(3,20-6)15(17-8-2)13-11-12(18-4)9-10-14(13)19-5/h9-11,15,17H,7-8H2,1-6H3
InChIKeyXGCJJIZYTLHZPS-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.17
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine

1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine (PubChem CID 116758051) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
PubChem CID116758051
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1cc(OC)ccc1OC)C(C)(CC)OC
InChIInChI=1S/C16H27NO3/c1-7-16(3,20-6)15(17-8-2)13-11-12(18-4)9-10-14(13)19-5/h9-11,15,17H,7-8H2,1-6H3
InChIKeyXGCJJIZYTLHZPS-UHFFFAOYSA-N
XLogP3.17
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 116758102
1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758376
1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43495216
2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine
CID 64614286
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
N-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine
CID 116757964
1-(2,5-dimethoxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
CID 105239363
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine
CID 116715821
1-(2,5-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79053298
N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66478019
[1-(3,4-dimethoxyphenyl)-2-methoxy-2-methylbutyl]hydrazine
CID 105274332

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine (CID 116758051) is 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine is CCNC(c1cc(OC)ccc1OC)C(C)(CC)OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
The InChIKey is XGCJJIZYTLHZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-7-16(3,20-6)15(17-8-2)13-11-12(18-4)9-10-14(13)19-5/h9-11,15,17H,7-8H2,1-6H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 116758051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).