1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-amine

C16H27NO3 — CID 116759700

IUPAC1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-amine
SMILESCCOC(CC)(CC)C(N)c1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO3/c1-6-16(7-2,20-8-3)15(17)13-11-12(18-4)9-10-14(13)19-5/h9-11,15H,6-8,17H2,1-5H3
InChIKeySMYQAWPVXBNEAI-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.30
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-amine

1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-amine (PubChem CID 116759700) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-amine
PubChem CID116759700
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-amine
SMILESCCOC(CC)(CC)C(N)c1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO3/c1-6-16(7-2,20-8-3)15(17)13-11-12(18-4)9-10-14(13)19-5/h9-11,15H,6-8,17H2,1-5H3
InChIKeySMYQAWPVXBNEAI-UHFFFAOYSA-N
XLogP3.30
TPSA53.71 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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-2-ethyl-1-(5-fluoro-2-methoxyphenyl)butan-1-amine
CID 116759493
1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752634
2-ethoxy-2-ethyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 103395886
1-(2,5-dimethoxyphenyl)-2-methoxy-2-methylpropan-1-amine
CID 79197544
3-amino-3-(2,5-dimethoxyphenyl)-2,2-dimethylpropanenitrile
CID 116940352
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
CID 43197204
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)butan-2-ol
CID 96603983
1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine
CID 116726239
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-amine (CID 116759700) is 1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-amine is CCOC(CC)(CC)C(N)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-amine?
The InChIKey is SMYQAWPVXBNEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-16(7-2,20-8-3)15(17)13-11-12(18-4)9-10-14(13)19-5/h9-11,15H,6-8,17H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-amine?
1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.30, 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)-2-ethoxy-2-ethylbutan-1-amine is sourced from PubChem (CID 116759700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).