1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine

C14H23NO2 — CID 61269298

IUPAC1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine
SMILESCCC(C)Oc1cc(OC)ccc1CC(C)N
InChIInChI=1S/C14H23NO2/c1-5-11(3)17-14-9-13(16-4)7-6-12(14)8-10(2)15/h6-7,9-11H,5,8,15H2,1-4H3
InChIKeyUXOJUGLBYSETKZ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.76
Rot. Bonds6

About 1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine

1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine (PubChem CID 61269298) 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)propan-2-amine.

Molecular Properties

Compound Name1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine
PubChem CID61269298
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine
SMILESCCC(C)Oc1cc(OC)ccc1CC(C)N
InChIInChI=1S/C14H23NO2/c1-5-11(3)17-14-9-13(16-4)7-6-12(14)8-10(2)15/h6-7,9-11H,5,8,15H2,1-4H3
InChIKeyUXOJUGLBYSETKZ-UHFFFAOYSA-N
XLogP2.76
TPSA44.48 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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine
CID 107885471
1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine
CID 61269126
1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine
CID 61269127
3-[2-(2-aminopropyl)-5-methoxyphenoxy]propanamide
CID 61269487
1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine
CID 60907849
1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385912
1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
CID 103411540
1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine
CID 82000203
1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine
CID 106728377
1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137128
(2-butan-2-yloxy-4-propoxyphenyl)methanamine
CID 43472107
1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine
CID 65369886

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine (CID 61269298) is 1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine is CCC(C)Oc1cc(OC)ccc1CC(C)N.
What is the InChIKey of 1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine?
The InChIKey is UXOJUGLBYSETKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-11(3)17-14-9-13(16-4)7-6-12(14)8-10(2)15/h6-7,9-11H,5,8,15H2,1-4H3.
What are the key properties of 1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine?
1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.76, 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)propan-2-amine is sourced from PubChem (CID 61269298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).