1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine

C16H27NO2 — CID 82927641

IUPAC1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine
SMILESCCC(CC)COc1cc(OC)ccc1C(C)NC
InChIInChI=1S/C16H27NO2/c1-6-13(7-2)11-19-16-10-14(18-5)8-9-15(16)12(3)17-4/h8-10,12-13,17H,6-7,11H2,1-5H3
InChIKeyPDEAIRNWSAVTIK-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.79
Rot. Bonds8

About 1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine

1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine (PubChem CID 82927641) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine
PubChem CID82927641
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine
SMILESCCC(CC)COc1cc(OC)ccc1C(C)NC
InChIInChI=1S/C16H27NO2/c1-6-13(7-2)11-19-16-10-14(18-5)8-9-15(16)12(3)17-4/h8-10,12-13,17H,6-7,11H2,1-5H3
InChIKeyPDEAIRNWSAVTIK-UHFFFAOYSA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-ethylhexoxy)-4-methoxyphenyl]-N-methylethanamine
CID 82000355
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine
CID 82000203
1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol
CID 82000030
1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine
CID 82000485
2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide
CID 82000489
1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine
CID 82000633
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylethanamine
CID 112640461
(1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine
CID 82000674
1-[4-methoxy-2-[(3-methylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 82000208
1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylethanamine
CID 82000350
1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine
CID 104796450

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine (CID 82927641) is 1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine is CCC(CC)COc1cc(OC)ccc1C(C)NC.
What is the InChIKey of 1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine?
The InChIKey is PDEAIRNWSAVTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-13(7-2)11-19-16-10-14(18-5)8-9-15(16)12(3)17-4/h8-10,12-13,17H,6-7,11H2,1-5H3.
What are the key properties of 1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine?
1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine is sourced from PubChem (CID 82927641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).