4-[(N,2,4-trimethylanilino)methyl]phenol

C16H19NO — CID 82972802

IUPAC4-[(N,2,4-trimethylanilino)methyl]phenol
SMILESCc1ccc(N(C)Cc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C16H19NO/c1-12-4-9-16(13(2)10-12)17(3)11-14-5-7-15(18)8-6-14/h4-10,18H,11H2,1-3H3
InChIKeyKJYMEQBNRHDOLB-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.65
Rot. Bonds3

About 4-[(N,2,4-trimethylanilino)methyl]phenol

4-[(N,2,4-trimethylanilino)methyl]phenol (PubChem CID 82972802) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[(N,2,4-trimethylanilino)methyl]phenol.

Molecular Properties

Compound Name4-[(N,2,4-trimethylanilino)methyl]phenol
PubChem CID82972802
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-[(N,2,4-trimethylanilino)methyl]phenol
SMILESCc1ccc(N(C)Cc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C16H19NO/c1-12-4-9-16(13(2)10-12)17(3)11-14-5-7-15(18)8-6-14/h4-10,18H,11H2,1-3H3
InChIKeyKJYMEQBNRHDOLB-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibromo-4-[(N,2,4-trimethylanilino)methyl]phenol
CID 107740282
2-methoxy-5-[(N,2,4-trimethylanilino)methyl]benzonitrile
CID 65343788
6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine
CID 65348285
N-benzyl-N,2,5-trimethylaniline
CID 15439716
4-(aminomethyl)-N-benzyl-N,2-dimethylaniline
CID 60929185
1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,4,6-trimethylphenyl)urea
CID 47031870
4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline
CID 60929562
N-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline
CID 62001809
1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine
CID 43165465
methyl 3-[(4-hydroxy-N,2-dimethylanilino)methyl]benzoate
CID 66704186
4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline
CID 22042659
2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline
CID 142315588

Frequently Asked Questions

What is the IUPAC name of 4-[(N,2,4-trimethylanilino)methyl]phenol?
The IUPAC name of 4-[(N,2,4-trimethylanilino)methyl]phenol (CID 82972802) is 4-[(N,2,4-trimethylanilino)methyl]phenol.
What is the SMILES notation for 4-[(N,2,4-trimethylanilino)methyl]phenol?
The canonical SMILES for 4-[(N,2,4-trimethylanilino)methyl]phenol is Cc1ccc(N(C)Cc2ccc(O)cc2)c(C)c1.
What is the InChIKey of 4-[(N,2,4-trimethylanilino)methyl]phenol?
The InChIKey is KJYMEQBNRHDOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-4-9-16(13(2)10-12)17(3)11-14-5-7-15(18)8-6-14/h4-10,18H,11H2,1-3H3.
What are the key properties of 4-[(N,2,4-trimethylanilino)methyl]phenol?
4-[(N,2,4-trimethylanilino)methyl]phenol has a molecular weight of 241.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N,2,4-trimethylanilino)methyl]phenol is sourced from PubChem (CID 82972802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).