2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol

C17H21NO — CID 82978827

IUPAC2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol
SMILESCc1cccc(N(C)C(C)c2cc(C)ccc2O)c1
InChIInChI=1S/C17H21NO/c1-12-6-5-7-15(10-12)18(4)14(3)16-11-13(2)8-9-17(16)19/h5-11,14,19H,1-4H3
InChIKeyQPRPIYXTOVUCBH-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.21
Rot. Bonds3

About 2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol

2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol (PubChem CID 82978827) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol
PubChem CID82978827
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol
SMILESCc1cccc(N(C)C(C)c2cc(C)ccc2O)c1
InChIInChI=1S/C17H21NO/c1-12-6-5-7-15(10-12)18(4)14(3)16-11-13(2)8-9-17(16)19/h5-11,14,19H,1-4H3
InChIKeyQPRPIYXTOVUCBH-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

2-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol
CID 107711796
2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol
CID 82982263
5-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol
CID 107707977
4-chloro-2-[1-(N,3,5-trimethylanilino)ethyl]phenol
CID 82978959
4-methyl-2-[1-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]phenol
CID 82979913
2-[1-(3-fluoro-N-methylanilino)ethyl]phenol
CID 82978399
4-bromo-2-[1-(N-methylanilino)ethyl]phenol
CID 82974570
4-chloro-2-[1-(N-ethyl-3-methylanilino)ethyl]phenol
CID 82982643
2-[1-(3-methoxy-N-methylanilino)ethyl]phenol
CID 82982610
2-[1-(N-ethyl-3-methylanilino)ethyl]phenol
CID 82981948
4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol
CID 154108469
2-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-4-methylphenol
CID 79645093

Frequently Asked Questions

What is the IUPAC name of 2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol?
The IUPAC name of 2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol (CID 82978827) is 2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol is Cc1cccc(N(C)C(C)c2cc(C)ccc2O)c1.
What is the InChIKey of 2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol?
The InChIKey is QPRPIYXTOVUCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-6-5-7-15(10-12)18(4)14(3)16-11-13(2)8-9-17(16)19/h5-11,14,19H,1-4H3.
What are the key properties of 2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol?
2-[1-(N,3-dimethylanilino)ethyl]-4-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,3-dimethylanilino)ethyl]-4-methylphenol is sourced from PubChem (CID 82978827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).