4-[(4-ethylanilino)methyl]-2,6-dimethylphenol

C17H21NO — CID 28932346

IUPAC4-[(4-ethylanilino)methyl]-2,6-dimethylphenol
SMILESCCc1ccc(NCc2cc(C)c(O)c(C)c2)cc1
InChIInChI=1S/C17H21NO/c1-4-14-5-7-16(8-6-14)18-11-15-9-12(2)17(19)13(3)10-15/h5-10,18-19H,4,11H2,1-3H3
InChIKeyYKFAAVSHXAXVOO-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.18
Rot. Bonds4

About 4-[(4-ethylanilino)methyl]-2,6-dimethylphenol

4-[(4-ethylanilino)methyl]-2,6-dimethylphenol (PubChem CID 28932346) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[(4-ethylanilino)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(4-ethylanilino)methyl]-2,6-dimethylphenol
PubChem CID28932346
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-[(4-ethylanilino)methyl]-2,6-dimethylphenol
SMILESCCc1ccc(NCc2cc(C)c(O)c(C)c2)cc1
InChIInChI=1S/C17H21NO/c1-4-14-5-7-16(8-6-14)18-11-15-9-12(2)17(19)13(3)10-15/h5-10,18-19H,4,11H2,1-3H3
InChIKeyYKFAAVSHXAXVOO-UHFFFAOYSA-N
XLogP4.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-4-[(4-methylanilino)methyl]phenol
CID 28932362
4-[(4-butylanilino)methyl]-2,6-dimethylphenol
CID 28932398
2,6-ditert-butyl-4-[(4-ethylanilino)methyl]phenol
CID 71376111
2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol
CID 28969409
4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol
CID 28932342
4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol
CID 107677940
2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol
CID 66352322
4-ethyl-2,6-dimethylphenol;methane
CID 159618487
ethane;4-ethyl-2,6-dimethylphenol
CID 143343408
4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-2,6-dimethylphenol
CID 28932299
4-[(3-bromo-5-methylanilino)methyl]-2,6-dimethylphenol
CID 107582089
2-chloro-5-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzoic acid
CID 43736351

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylanilino)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(4-ethylanilino)methyl]-2,6-dimethylphenol (CID 28932346) is 4-[(4-ethylanilino)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(4-ethylanilino)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(4-ethylanilino)methyl]-2,6-dimethylphenol is CCc1ccc(NCc2cc(C)c(O)c(C)c2)cc1.
What is the InChIKey of 4-[(4-ethylanilino)methyl]-2,6-dimethylphenol?
The InChIKey is YKFAAVSHXAXVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-14-5-7-16(8-6-14)18-11-15-9-12(2)17(19)13(3)10-15/h5-10,18-19H,4,11H2,1-3H3.
What are the key properties of 4-[(4-ethylanilino)methyl]-2,6-dimethylphenol?
4-[(4-ethylanilino)methyl]-2,6-dimethylphenol has a molecular weight of 255.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylanilino)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 28932346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).