2-[[2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethylamino]methyl]phenol

C24H33NO2 — CID 3706362

IUPAC2-[[2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethylamino]methyl]phenol
SMILESCCC1(C)CC(CCNCc2ccccc2O)(c2ccc(C)cc2)CCO1
InChIInChI=1S/C24H33NO2/c1-4-23(3)18-24(14-16-27-23,21-11-9-19(2)10-12-21)13-15-25-17-20-7-5-6-8-22(20)26/h5-12,25-26H,4,13-18H2,1-3H3
InChIKeyAZZXQPIFKYDBCE-UHFFFAOYSA-N
MW367.53 g/mol
LogP5.10
Rot. Bonds7

About 2-[[2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethylamino]methyl]phenol

2-[[2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethylamino]methyl]phenol (PubChem CID 3706362) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 2-[[2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethylamino]methyl]phenol
PubChem CID3706362
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name2-[[2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethylamino]methyl]phenol
SMILESCCC1(C)CC(CCNCc2ccccc2O)(c2ccc(C)cc2)CCO1
InChIInChI=1S/C24H33NO2/c1-4-23(3)18-24(14-16-27-23,21-11-9-19(2)10-12-21)13-15-25-17-20-7-5-6-8-22(20)26/h5-12,25-26H,4,13-18H2,1-3H3
InChIKeyAZZXQPIFKYDBCE-UHFFFAOYSA-N
XLogP5.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.10
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

GUM1 compound
CID 3132840
3-(1-Hydroxy-2-((4-phenylphenyl)methylamino)ethyl)phenol
CID 2989791
2-[({2-[2-ethyl-4-(4-fluorophenyl)-2-methyltetrahydro-2H-pyran-4-yl]ethyl}amino)methyl]phenol
CID 3132846
2-{1-Phenyl-3-[(1-phenylethyl)amino]propyl}phenol
CID 3745520
2-[[2-[(2R)-2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethylamino]methyl]phenol
CID 73346590
N,N'-Dodecamethylenebis(2-hydroxybenzylamine)
CID 4535168
4-(1-Methyl-1-phenylethyl)-2-(4-morpholinylmethyl)phenol
CID 765913
2-(((2-(2-ethyl-4-(2-methoxyphenyl)-2-methyltetrahydro-2H-pyran-4-yl)ethyl)amino)methyl)phenol hydrochloride
CID 44522267
2-[(Cyclohexylamino)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hydrochloride
CID 44531476
2-Methyl-4-[[[4-[(3-phenylpropylamino)methyl]cyclohexyl]methylamino]methyl]phenol
CID 44534640
2-Methyl-4-[[6-[(4-phenylphenyl)methylamino]hexylamino]methyl]phenol
CID 44534643
2-Methyl-4-[[7-[(4-phenylphenyl)methylamino]heptylamino]methyl]phenol
CID 44534646

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethylamino]methyl]phenol?
The IUPAC name of 2-[[2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethylamino]methyl]phenol (CID 3706362) is 2-[[2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethylamino]methyl]phenol.
What is the SMILES notation for 2-[[2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethylamino]methyl]phenol?
The canonical SMILES for 2-[[2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethylamino]methyl]phenol is CCC1(C)CC(CCNCc2ccccc2O)(c2ccc(C)cc2)CCO1.
What is the InChIKey of 2-[[2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethylamino]methyl]phenol?
The InChIKey is AZZXQPIFKYDBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-4-23(3)18-24(14-16-27-23,21-11-9-19(2)10-12-21)13-15-25-17-20-7-5-6-8-22(20)26/h5-12,25-26H,4,13-18H2,1-3H3.
What are the key properties of 2-[[2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethylamino]methyl]phenol?
2-[[2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethylamino]methyl]phenol has a molecular weight of 367.53 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethylamino]methyl]phenol is sourced from PubChem (CID 3706362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).