4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol

C14H21NO2 — CID 82978354

IUPAC4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
SMILESCc1ccc(O)c(CN(C)CC2CCCO2)c1
InChIInChI=1S/C14H21NO2/c1-11-5-6-14(16)12(8-11)9-15(2)10-13-4-3-7-17-13/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3
InChIKeyCCEUUMMTSSVISD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.31
Rot. Bonds4

About 4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol

4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol (PubChem CID 82978354) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
PubChem CID82978354
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
SMILESCc1ccc(O)c(CN(C)CC2CCCO2)c1
InChIInChI=1S/C14H21NO2/c1-11-5-6-14(16)12(8-11)9-15(2)10-13-4-3-7-17-13/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3
InChIKeyCCEUUMMTSSVISD-UHFFFAOYSA-N
XLogP2.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.31
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

2-methyl-6-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 112553432
2-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 107693985
[5-methyl-2-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol
CID 114054435
4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 55205702
2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436423
4-chloro-3-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 61430964
2-hydroxy-N,5-dimethyl-N-(oxan-2-ylmethyl)benzamide
CID 47344741
4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 113305279
2-[1-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-4-methylphenol
CID 82982523
1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 79039900
2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 61436320
4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol
CID 103993059

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol?
The IUPAC name of 4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol (CID 82978354) is 4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol is Cc1ccc(O)c(CN(C)CC2CCCO2)c1.
What is the InChIKey of 4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol?
The InChIKey is CCEUUMMTSSVISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-5-6-14(16)12(8-11)9-15(2)10-13-4-3-7-17-13/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3.
What are the key properties of 4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol?
4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 82978354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).