5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol

C15H25NO2 — CID 82976674

IUPAC5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol
SMILESCCC(CC)N(C)C(C)c1ccc(OC)cc1O
InChIInChI=1S/C15H25NO2/c1-6-12(7-2)16(4)11(3)14-9-8-13(18-5)10-15(14)17/h8-12,17H,6-7H2,1-5H3
InChIKeyQJMWCRHTGSPTHH-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.58
Rot. Bonds6

About 5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol

5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol (PubChem CID 82976674) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol
PubChem CID82976674
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol
SMILESCCC(CC)N(C)C(C)c1ccc(OC)cc1O
InChIInChI=1S/C15H25NO2/c1-6-12(7-2)16(4)11(3)14-9-8-13(18-5)10-15(14)17/h8-12,17H,6-7H2,1-5H3
InChIKeyQJMWCRHTGSPTHH-UHFFFAOYSA-N
XLogP3.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]phenol
CID 82982095
2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol
CID 82957371
5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol
CID 82980149
5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
CID 82986264
4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977656
2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol
CID 104582210
5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]ethyl]phenol
CID 82982580
5-methoxy-2-[1-(2-methylpentan-3-ylamino)ethyl]phenol
CID 54955000
2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one
CID 151498938
2-[1-[butan-2-yl(methyl)amino]ethyl]-5-fluorophenol
CID 82977411
5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 82979480
2-(1-aminopropyl)-4-methoxyphenol
CID 19748508

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol (CID 82976674) is 5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol is CCC(CC)N(C)C(C)c1ccc(OC)cc1O.
What is the InChIKey of 5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol?
The InChIKey is QJMWCRHTGSPTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-12(7-2)16(4)11(3)14-9-8-13(18-5)10-15(14)17/h8-12,17H,6-7H2,1-5H3.
What are the key properties of 5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol?
5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol has a molecular weight of 251.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol is sourced from PubChem (CID 82976674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).