1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine

C15H25NO2 — CID 102981344

IUPAC1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine
SMILESCCCC(C)OCC(N)c1cc(C)ccc1OC
InChIInChI=1S/C15H25NO2/c1-5-6-12(3)18-10-14(16)13-9-11(2)7-8-15(13)17-4/h7-9,12,14H,5-6,10,16H2,1-4H3
InChIKeyUVUXWMYELHIUSD-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.21
Rot. Bonds7

About 1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine

1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine (PubChem CID 102981344) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine
PubChem CID102981344
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine
SMILESCCCC(C)OCC(N)c1cc(C)ccc1OC
InChIInChI=1S/C15H25NO2/c1-5-6-12(3)18-10-14(16)13-9-11(2)7-8-15(13)17-4/h7-9,12,14H,5-6,10,16H2,1-4H3
InChIKeyUVUXWMYELHIUSD-UHFFFAOYSA-N
XLogP3.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine
CID 43183961
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828
1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine
CID 107524072
2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43127467
1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16785142
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine
CID 82550097
3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 103149128
N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 43265729

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine (CID 102981344) is 1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine is CCCC(C)OCC(N)c1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine?
The InChIKey is UVUXWMYELHIUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-6-12(3)18-10-14(16)13-9-11(2)7-8-15(13)17-4/h7-9,12,14H,5-6,10,16H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine?
1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine is sourced from PubChem (CID 102981344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).