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

C16H27NO3 — CID 116725272

IUPAC1-(3,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
SMILESCCOC(C(N)c1ccc(OC)c(OC)c1)C(C)(C)C
InChIInChI=1S/C16H27NO3/c1-7-20-15(16(2,3)4)14(17)11-8-9-12(18-5)13(10-11)19-6/h8-10,14-15H,7,17H2,1-6H3
InChIKeyDPXJFACWZPYSAZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.15
Rot. Bonds6

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

1-(3,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine (PubChem CID 116725272) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
PubChem CID116725272
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(3,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
SMILESCCOC(C(N)c1ccc(OC)c(OC)c1)C(C)(C)C
InChIInChI=1S/C16H27NO3/c1-7-20-15(16(2,3)4)14(17)11-8-9-12(18-5)13(10-11)19-6/h8-10,14-15H,7,17H2,1-6H3
InChIKeyDPXJFACWZPYSAZ-UHFFFAOYSA-N
XLogP3.15
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine
CID 116723089
(1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171250432
(1S)-1-(3,4-dimethoxyphenyl)-2,2-difluoroethanamine
CID 28973213
1,2,2-tris(3,4-dimethoxyphenyl)ethanamine
CID 11396841
(1R,2S)-1-amino-1-(3,4-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171160772
(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171210844
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116725346
ethyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)-2-fluoropropanoate;hydrochloride
CID 171246023
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724757
(1S,2R)-1-amino-1-(3,4-dimethoxyphenyl)pentan-2-ol;hydrochloride
CID 171162200
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine (CID 116725272) is 1-(3,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine is CCOC(C(N)c1ccc(OC)c(OC)c1)C(C)(C)C.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine?
The InChIKey is DPXJFACWZPYSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-7-20-15(16(2,3)4)14(17)11-8-9-12(18-5)13(10-11)19-6/h8-10,14-15H,7,17H2,1-6H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine?
1-(3,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 116725272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).