3-[(2,4,6-trimethylphenyl)methylamino]phenol

C16H19NO — CID 28722294

IUPAC3-[(2,4,6-trimethylphenyl)methylamino]phenol
SMILESCc1cc(C)c(CNc2cccc(O)c2)c(C)c1
InChIInChI=1S/C16H19NO/c1-11-7-12(2)16(13(3)8-11)10-17-14-5-4-6-15(18)9-14/h4-9,17-18H,10H2,1-3H3
InChIKeyWRPPGNPZKLJGBT-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.93
Rot. Bonds3

About 3-[(2,4,6-trimethylphenyl)methylamino]phenol

3-[(2,4,6-trimethylphenyl)methylamino]phenol (PubChem CID 28722294) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[(2,4,6-trimethylphenyl)methylamino]phenol.

Molecular Properties

Compound Name3-[(2,4,6-trimethylphenyl)methylamino]phenol
PubChem CID28722294
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-[(2,4,6-trimethylphenyl)methylamino]phenol
SMILESCc1cc(C)c(CNc2cccc(O)c2)c(C)c1
InChIInChI=1S/C16H19NO/c1-11-7-12(2)16(13(3)8-11)10-17-14-5-4-6-15(18)9-14/h4-9,17-18H,10H2,1-3H3
InChIKeyWRPPGNPZKLJGBT-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

3-[(2,4,6-trimethylphenyl)methylamino]benzamide
CID 28650483
2-[(3-hydroxyanilino)methyl]benzene-1,3,5-triol
CID 21321371
[3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea
CID 43744507
3-[(2-methylphenyl)methylamino]phenol
CID 28722272
3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide
CID 28541147
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
3-(ethylamino)phenol
CID 578991
3-[(5-methyl-2-pyridinyl)methylamino]phenol
CID 81311516
3-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43771044
3-[(2-chloro-6-fluorophenyl)methylamino]phenol
CID 28722844
3-[(2-methyl-3-pyridinyl)methylamino]phenol
CID 99790074
3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 63453660

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,6-trimethylphenyl)methylamino]phenol?
The IUPAC name of 3-[(2,4,6-trimethylphenyl)methylamino]phenol (CID 28722294) is 3-[(2,4,6-trimethylphenyl)methylamino]phenol.
What is the SMILES notation for 3-[(2,4,6-trimethylphenyl)methylamino]phenol?
The canonical SMILES for 3-[(2,4,6-trimethylphenyl)methylamino]phenol is Cc1cc(C)c(CNc2cccc(O)c2)c(C)c1.
What is the InChIKey of 3-[(2,4,6-trimethylphenyl)methylamino]phenol?
The InChIKey is WRPPGNPZKLJGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11-7-12(2)16(13(3)8-11)10-17-14-5-4-6-15(18)9-14/h4-9,17-18H,10H2,1-3H3.
What are the key properties of 3-[(2,4,6-trimethylphenyl)methylamino]phenol?
3-[(2,4,6-trimethylphenyl)methylamino]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 3-[(2,4,6-trimethylphenyl)methylamino]phenol is sourced from PubChem (CID 28722294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).