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

C14H21NO2 — CID 55205702

IUPAC4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
SMILESCc1ccc(O)c(CNCCC2CCCO2)c1
InChIInChI=1S/C14H21NO2/c1-11-4-5-14(16)12(9-11)10-15-7-6-13-3-2-8-17-13/h4-5,9,13,15-16H,2-3,6-8,10H2,1H3
InChIKeyXXBJXVDJTKXKJG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.36
Rot. Bonds5

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

4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol (PubChem CID 55205702) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
PubChem CID55205702
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
SMILESCc1ccc(O)c(CNCCC2CCCO2)c1
InChIInChI=1S/C14H21NO2/c1-11-4-5-14(16)12(9-11)10-15-7-6-13-3-2-8-17-13/h4-5,9,13,15-16H,2-3,6-8,10H2,1H3
InChIKeyXXBJXVDJTKXKJG-UHFFFAOYSA-N
XLogP2.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol
CID 103993059
4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 103948092
2-[(2-cyclopentylethylamino)methyl]-4-methylphenol
CID 63324647
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115967929
N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 62134783
4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 82978354
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992756
N-[(2,5-difluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 54893285
N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 62515858
2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 112554056
N-[(4-bromo-2-chlorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115652022
4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide
CID 65163508

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol?
The IUPAC name of 4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol (CID 55205702) is 4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol is Cc1ccc(O)c(CNCCC2CCCO2)c1.
What is the InChIKey of 4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol?
The InChIKey is XXBJXVDJTKXKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-4-5-14(16)12(9-11)10-15-7-6-13-3-2-8-17-13/h4-5,9,13,15-16H,2-3,6-8,10H2,1H3.
What are the key properties of 4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol?
4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 55205702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).