2,6-dimethyl-4-[(4-methylanilino)methyl]phenol

C16H19NO — CID 28932362

IUPAC2,6-dimethyl-4-[(4-methylanilino)methyl]phenol
SMILESCc1ccc(NCc2cc(C)c(O)c(C)c2)cc1
InChIInChI=1S/C16H19NO/c1-11-4-6-15(7-5-11)17-10-14-8-12(2)16(18)13(3)9-14/h4-9,17-18H,10H2,1-3H3
InChIKeyCXNVIXALGTXHCQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.93
Rot. Bonds3

About 2,6-dimethyl-4-[(4-methylanilino)methyl]phenol

2,6-dimethyl-4-[(4-methylanilino)methyl]phenol (PubChem CID 28932362) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(4-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(4-methylanilino)methyl]phenol
PubChem CID28932362
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2,6-dimethyl-4-[(4-methylanilino)methyl]phenol
SMILESCc1ccc(NCc2cc(C)c(O)c(C)c2)cc1
InChIInChI=1S/C16H19NO/c1-11-4-6-15(7-5-11)17-10-14-8-12(2)16(18)13(3)9-14/h4-9,17-18H,10H2,1-3H3
InChIKeyCXNVIXALGTXHCQ-UHFFFAOYSA-N
XLogP3.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-ethylanilino)methyl]-2,6-dimethylphenol
CID 28932346
4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol
CID 28932342
2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol
CID 28969409
4-[(4-butylanilino)methyl]-2,6-dimethylphenol
CID 28932398
4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol
CID 107677940
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol
CID 66352322
4-[(3-bromo-5-methylanilino)methyl]-2,6-dimethylphenol
CID 107582089
4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol
CID 28932226
4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-2,6-dimethylphenol
CID 28932299
2-chloro-5-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzoic acid
CID 43736351
4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol
CID 60931109

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(4-methylanilino)methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(4-methylanilino)methyl]phenol (CID 28932362) is 2,6-dimethyl-4-[(4-methylanilino)methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(4-methylanilino)methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(4-methylanilino)methyl]phenol is Cc1ccc(NCc2cc(C)c(O)c(C)c2)cc1.
What is the InChIKey of 2,6-dimethyl-4-[(4-methylanilino)methyl]phenol?
The InChIKey is CXNVIXALGTXHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11-4-6-15(7-5-11)17-10-14-8-12(2)16(18)13(3)9-14/h4-9,17-18H,10H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[(4-methylanilino)methyl]phenol?
2,6-dimethyl-4-[(4-methylanilino)methyl]phenol has a molecular weight of 241.33 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(4-methylanilino)methyl]phenol is sourced from PubChem (CID 28932362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).