1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol

C15H25NO3 — CID 114491704

IUPAC1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1ccc(C(C)NC)cc1OC
InChIInChI=1S/C15H25NO3/c1-6-15(3,17)10-19-13-8-7-12(11(2)16-4)9-14(13)18-5/h7-9,11,16-17H,6,10H2,1-5H3
InChIKeyFPMFSOIADOOILP-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.52
Rot. Bonds7

About 1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol

1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol (PubChem CID 114491704) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol
PubChem CID114491704
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1ccc(C(C)NC)cc1OC
InChIInChI=1S/C15H25NO3/c1-6-15(3,17)10-19-13-8-7-12(11(2)16-4)9-14(13)18-5/h7-9,11,16-17H,6,10H2,1-5H3
InChIKeyFPMFSOIADOOILP-UHFFFAOYSA-N
XLogP2.52
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60882670
methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate
CID 60882110
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 54935544
5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
CID 62228216
6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702400
2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 43279407
1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 63364683
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol
CID 114492395
1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60879775
1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine
CID 60881368

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol?
The IUPAC name of 1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol (CID 114491704) is 1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol is CCC(C)(O)COc1ccc(C(C)NC)cc1OC.
What is the InChIKey of 1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol?
The InChIKey is FPMFSOIADOOILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-6-15(3,17)10-19-13-8-7-12(11(2)16-4)9-14(13)18-5/h7-9,11,16-17H,6,10H2,1-5H3.
What are the key properties of 1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol?
1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 114491704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).