2-[(4-ethyl-N-methylanilino)methyl]-4-methylphenol

C17H21NO — CID 82978731

IUPAC2-[(4-ethyl-N-methylanilino)methyl]-4-methylphenol
SMILESCCc1ccc(N(C)Cc2cc(C)ccc2O)cc1
InChIInChI=1S/C17H21NO/c1-4-14-6-8-16(9-7-14)18(3)12-15-11-13(2)5-10-17(15)19/h5-11,19H,4,12H2,1-3H3
InChIKeyLMITYGVDWTURKI-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.90
Rot. Bonds4

About 2-[(4-ethyl-N-methylanilino)methyl]-4-methylphenol

2-[(4-ethyl-N-methylanilino)methyl]-4-methylphenol (PubChem CID 82978731) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(4-ethyl-N-methylanilino)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(4-ethyl-N-methylanilino)methyl]-4-methylphenol
PubChem CID82978731
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[(4-ethyl-N-methylanilino)methyl]-4-methylphenol
SMILESCCc1ccc(N(C)Cc2cc(C)ccc2O)cc1
InChIInChI=1S/C17H21NO/c1-4-14-6-8-16(9-7-14)18(3)12-15-11-13(2)5-10-17(15)19/h5-11,19H,4,12H2,1-3H3
InChIKeyLMITYGVDWTURKI-UHFFFAOYSA-N
XLogP3.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[(N,4-dimethylanilino)methyl]phenol
CID 82979138
4-bromo-3-[(4-ethyl-N-methylanilino)methyl]phenol
CID 82978315
4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976772
5-[[4-[(2-hydroxy-5-methylphenyl)methyl-methylamino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 154931959
4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 150105326
4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978580
2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol
CID 63327164
N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide
CID 130034284
3-chloro-4-[(4-ethyl-N-methylanilino)methyl]aniline
CID 62002562
5-bromo-2-[(4-ethyl-N-methylanilino)methyl]aniline
CID 79712794
4-chloro-2-[(N,3,5-trimethylanilino)methyl]phenol
CID 82978606
4-methyl-2-[[methyl(pentyl)amino]methyl]phenol
CID 82976648

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-N-methylanilino)methyl]-4-methylphenol?
The IUPAC name of 2-[(4-ethyl-N-methylanilino)methyl]-4-methylphenol (CID 82978731) is 2-[(4-ethyl-N-methylanilino)methyl]-4-methylphenol.
What is the SMILES notation for 2-[(4-ethyl-N-methylanilino)methyl]-4-methylphenol?
The canonical SMILES for 2-[(4-ethyl-N-methylanilino)methyl]-4-methylphenol is CCc1ccc(N(C)Cc2cc(C)ccc2O)cc1.
What is the InChIKey of 2-[(4-ethyl-N-methylanilino)methyl]-4-methylphenol?
The InChIKey is LMITYGVDWTURKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-14-6-8-16(9-7-14)18(3)12-15-11-13(2)5-10-17(15)19/h5-11,19H,4,12H2,1-3H3.
What are the key properties of 2-[(4-ethyl-N-methylanilino)methyl]-4-methylphenol?
2-[(4-ethyl-N-methylanilino)methyl]-4-methylphenol has a molecular weight of 255.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-N-methylanilino)methyl]-4-methylphenol is sourced from PubChem (CID 82978731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).