4-methyl-2-[1-[1-(oxolan-3-yl)ethylamino]ethyl]phenol

C15H23NO2 — CID 113429377

IUPAC4-methyl-2-[1-[1-(oxolan-3-yl)ethylamino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)NC(C)C2CCOC2)c1
InChIInChI=1S/C15H23NO2/c1-10-4-5-15(17)14(8-10)12(3)16-11(2)13-6-7-18-9-13/h4-5,8,11-13,16-17H,6-7,9H2,1-3H3
InChIKeyJHKYFRKAUOYUQW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.78
Rot. Bonds4

About 4-methyl-2-[1-[1-(oxolan-3-yl)ethylamino]ethyl]phenol

4-methyl-2-[1-[1-(oxolan-3-yl)ethylamino]ethyl]phenol (PubChem CID 113429377) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-methyl-2-[1-[1-(oxolan-3-yl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-[1-(oxolan-3-yl)ethylamino]ethyl]phenol
PubChem CID113429377
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-methyl-2-[1-[1-(oxolan-3-yl)ethylamino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)NC(C)C2CCOC2)c1
InChIInChI=1S/C15H23NO2/c1-10-4-5-15(17)14(8-10)12(3)16-11(2)13-6-7-18-9-13/h4-5,8,11-13,16-17H,6-7,9H2,1-3H3
InChIKeyJHKYFRKAUOYUQW-UHFFFAOYSA-N
XLogP2.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115704048
N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115718211
1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 115714685
3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol
CID 99629144
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 104865494
2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115925815
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339
2-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]benzene-1,4-diol
CID 81394389
(2-fluoro-5-methylphenyl)-(oxolan-3-yl)methanol
CID 63893222
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 113483469
4-methyl-2-[(1R)-1-(methylamino)ethyl]phenol
CID 55277105

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[1-(oxolan-3-yl)ethylamino]ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-[1-(oxolan-3-yl)ethylamino]ethyl]phenol (CID 113429377) is 4-methyl-2-[1-[1-(oxolan-3-yl)ethylamino]ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-[1-(oxolan-3-yl)ethylamino]ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-[1-(oxolan-3-yl)ethylamino]ethyl]phenol is Cc1ccc(O)c(C(C)NC(C)C2CCOC2)c1.
What is the InChIKey of 4-methyl-2-[1-[1-(oxolan-3-yl)ethylamino]ethyl]phenol?
The InChIKey is JHKYFRKAUOYUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-4-5-15(17)14(8-10)12(3)16-11(2)13-6-7-18-9-13/h4-5,8,11-13,16-17H,6-7,9H2,1-3H3.
What are the key properties of 4-methyl-2-[1-[1-(oxolan-3-yl)ethylamino]ethyl]phenol?
4-methyl-2-[1-[1-(oxolan-3-yl)ethylamino]ethyl]phenol has a molecular weight of 249.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[1-(oxolan-3-yl)ethylamino]ethyl]phenol is sourced from PubChem (CID 113429377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).