2-[1-(N,2-dimethylanilino)ethyl]-5-methylphenol

C17H21NO — CID 82978084

IUPAC2-[1-(N,2-dimethylanilino)ethyl]-5-methylphenol
SMILESCc1ccc(C(C)N(C)c2ccccc2C)c(O)c1
InChIInChI=1S/C17H21NO/c1-12-9-10-15(17(19)11-12)14(3)18(4)16-8-6-5-7-13(16)2/h5-11,14,19H,1-4H3
InChIKeyQOKVFTDFMYPNCK-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.21
Rot. Bonds3

About 2-[1-(N,2-dimethylanilino)ethyl]-5-methylphenol

2-[1-(N,2-dimethylanilino)ethyl]-5-methylphenol (PubChem CID 82978084) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[1-(N,2-dimethylanilino)ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-(N,2-dimethylanilino)ethyl]-5-methylphenol
PubChem CID82978084
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[1-(N,2-dimethylanilino)ethyl]-5-methylphenol
SMILESCc1ccc(C(C)N(C)c2ccccc2C)c(O)c1
InChIInChI=1S/C17H21NO/c1-12-9-10-15(17(19)11-12)14(3)18(4)16-8-6-5-7-13(16)2/h5-11,14,19H,1-4H3
InChIKeyQOKVFTDFMYPNCK-UHFFFAOYSA-N
XLogP4.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]phenol
CID 82977659
2-[1-(N,2,4-trimethylanilino)ethyl]benzene-1,3-diol
CID 107711813
cobalt;bis(5-methyl-2-propan-2-ylphenol)
CID 156896903
bis(5-methyl-2-propan-2-ylphenol);dihydroiodide
CID 69164517
5-methyl-2-propan-2-ylphenol;zinc
CID 160855786
zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)
CID 162244199
5-methyl-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol
CID 82977725
5-methyl-2-propan-2-ylphenol;phosphoric acid
CID 67743419
5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol
CID 70978775
2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol
CID 82978827
2,5-dimethyl-N-(2-methylphenyl)-N-propan-2-ylaniline
CID 162714206
2-(1-amino-2-methylpropyl)-5-methylphenol
CID 55283226

Frequently Asked Questions

What is the IUPAC name of 2-[1-(N,2-dimethylanilino)ethyl]-5-methylphenol?
The IUPAC name of 2-[1-(N,2-dimethylanilino)ethyl]-5-methylphenol (CID 82978084) is 2-[1-(N,2-dimethylanilino)ethyl]-5-methylphenol.
What is the SMILES notation for 2-[1-(N,2-dimethylanilino)ethyl]-5-methylphenol?
The canonical SMILES for 2-[1-(N,2-dimethylanilino)ethyl]-5-methylphenol is Cc1ccc(C(C)N(C)c2ccccc2C)c(O)c1.
What is the InChIKey of 2-[1-(N,2-dimethylanilino)ethyl]-5-methylphenol?
The InChIKey is QOKVFTDFMYPNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-9-10-15(17(19)11-12)14(3)18(4)16-8-6-5-7-13(16)2/h5-11,14,19H,1-4H3.
What are the key properties of 2-[1-(N,2-dimethylanilino)ethyl]-5-methylphenol?
2-[1-(N,2-dimethylanilino)ethyl]-5-methylphenol has a molecular weight of 255.36 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(N,2-dimethylanilino)ethyl]-5-methylphenol is sourced from PubChem (CID 82978084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).