1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine

C14H23NO2 — CID 82000203

IUPAC1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine
SMILESCCC(C)Oc1cc(OC)ccc1C(C)NC
InChIInChI=1S/C14H23NO2/c1-6-10(2)17-14-9-12(16-5)7-8-13(14)11(3)15-4/h7-11,15H,6H2,1-5H3
InChIKeyLFQYAGFPPNCFMX-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.15
Rot. Bonds6

About 1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine

1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine (PubChem CID 82000203) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine
PubChem CID82000203
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine
SMILESCCC(C)Oc1cc(OC)ccc1C(C)NC
InChIInChI=1S/C14H23NO2/c1-6-10(2)17-14-9-12(16-5)7-8-13(14)11(3)15-4/h7-11,15H,6H2,1-5H3
InChIKeyLFQYAGFPPNCFMX-UHFFFAOYSA-N
XLogP3.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide
CID 82000489
1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine
CID 82927641
1-[2-(2-ethylhexoxy)-4-methoxyphenyl]-N-methylethanamine
CID 82000355
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine
CID 61269298
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
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylethanamine
CID 112640461
1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine
CID 82000633
1-(2-chloro-5-methoxyphenyl)-N-methylethanamine
CID 84733712
1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 116962062

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine (CID 82000203) is 1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine is CCC(C)Oc1cc(OC)ccc1C(C)NC.
What is the InChIKey of 1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine?
The InChIKey is LFQYAGFPPNCFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-6-10(2)17-14-9-12(16-5)7-8-13(14)11(3)15-4/h7-11,15H,6H2,1-5H3.
What are the key properties of 1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine?
1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine has a molecular weight of 237.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 82000203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).