1-[2-(1-aminoethyl)-5-methoxyphenoxy]-2,3-dimethylbutan-2-ol

C15H25NO3 — CID 114492274

IUPAC1-[2-(1-aminoethyl)-5-methoxyphenoxy]-2,3-dimethylbutan-2-ol
SMILESCOc1ccc(C(C)N)c(OCC(C)(O)C(C)C)c1
InChIInChI=1S/C15H25NO3/c1-10(2)15(4,17)9-19-14-8-12(18-5)6-7-13(14)11(3)16/h6-8,10-11,17H,9,16H2,1-5H3
InChIKeyUDTHXGCTBOITKD-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.50
Rot. Bonds6

About 1-[2-(1-aminoethyl)-5-methoxyphenoxy]-2,3-dimethylbutan-2-ol

1-[2-(1-aminoethyl)-5-methoxyphenoxy]-2,3-dimethylbutan-2-ol (PubChem CID 114492274) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)-5-methoxyphenoxy]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)-5-methoxyphenoxy]-2,3-dimethylbutan-2-ol
PubChem CID114492274
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[2-(1-aminoethyl)-5-methoxyphenoxy]-2,3-dimethylbutan-2-ol
SMILESCOc1ccc(C(C)N)c(OCC(C)(O)C(C)C)c1
InChIInChI=1S/C15H25NO3/c1-10(2)15(4,17)9-19-14-8-12(18-5)6-7-13(14)11(3)16/h6-8,10-11,17H,9,16H2,1-5H3
InChIKeyUDTHXGCTBOITKD-UHFFFAOYSA-N
XLogP2.50
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine
CID 82001145
1-[5-methoxy-2-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
CID 114491839
4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol
CID 113398869
(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104647162
1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine
CID 82000622
(1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine
CID 82000674
1-(2-heptoxy-4-methoxyphenyl)ethanamine
CID 82000462
1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106450545
(1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine
CID 82001682
(1S)-1-(4-methoxy-2-pent-4-enoxyphenyl)ethanamine
CID 82000062
(1R)-1-[4-methoxy-2-(2-propan-2-ylsulfanylethoxy)phenyl]ethanamine
CID 114268547
1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol
CID 78935976

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)-5-methoxyphenoxy]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[2-(1-aminoethyl)-5-methoxyphenoxy]-2,3-dimethylbutan-2-ol (CID 114492274) is 1-[2-(1-aminoethyl)-5-methoxyphenoxy]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[2-(1-aminoethyl)-5-methoxyphenoxy]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[2-(1-aminoethyl)-5-methoxyphenoxy]-2,3-dimethylbutan-2-ol is COc1ccc(C(C)N)c(OCC(C)(O)C(C)C)c1.
What is the InChIKey of 1-[2-(1-aminoethyl)-5-methoxyphenoxy]-2,3-dimethylbutan-2-ol?
The InChIKey is UDTHXGCTBOITKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10(2)15(4,17)9-19-14-8-12(18-5)6-7-13(14)11(3)16/h6-8,10-11,17H,9,16H2,1-5H3.
What are the key properties of 1-[2-(1-aminoethyl)-5-methoxyphenoxy]-2,3-dimethylbutan-2-ol?
1-[2-(1-aminoethyl)-5-methoxyphenoxy]-2,3-dimethylbutan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)-5-methoxyphenoxy]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114492274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).