4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol

C17H21NO — CID 28932342

IUPAC4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol
SMILESCc1cc(C)cc(NCc2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C17H21NO/c1-11-5-12(2)7-16(6-11)18-10-15-8-13(3)17(19)14(4)9-15/h5-9,18-19H,10H2,1-4H3
InChIKeyBAZOKSIDDWPVJV-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.24
Rot. Bonds3

About 4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol

4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol (PubChem CID 28932342) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol
PubChem CID28932342
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol
SMILESCc1cc(C)cc(NCc2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C17H21NO/c1-11-5-12(2)7-16(6-11)18-10-15-8-13(3)17(19)14(4)9-15/h5-9,18-19H,10H2,1-4H3
InChIKeyBAZOKSIDDWPVJV-UHFFFAOYSA-N
XLogP4.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-bromo-5-methylanilino)methyl]-2,6-dimethylphenol
CID 107582089
2,6-dimethyl-4-[(4-methylanilino)methyl]phenol
CID 28932362
4-[(4-ethylanilino)methyl]-2,6-dimethylphenol
CID 28932346
4-[(4-bromo-2,6-dimethylanilino)methyl]-2,6-dimethylphenol
CID 63449025
2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol
CID 66352322
N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline
CID 55040391
4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol
CID 28932226
4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol
CID 107677940
2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol
CID 28969409
4-[(4-butylanilino)methyl]-2,6-dimethylphenol
CID 28932398
4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-2,6-dimethylphenol
CID 28932299
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzoic acid
CID 43321816

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol (CID 28932342) is 4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol is Cc1cc(C)cc(NCc2cc(C)c(O)c(C)c2)c1.
What is the InChIKey of 4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol?
The InChIKey is BAZOKSIDDWPVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-11-5-12(2)7-16(6-11)18-10-15-8-13(3)17(19)14(4)9-15/h5-9,18-19H,10H2,1-4H3.
What are the key properties of 4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol?
4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol has a molecular weight of 255.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 28932342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).