3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol

C16H19NO2 — CID 43739022

IUPAC3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
SMILESCOc1c(C)ccc(NCc2cccc(O)c2)c1C
InChIInChI=1S/C16H19NO2/c1-11-7-8-15(12(2)16(11)19-3)17-10-13-5-4-6-14(18)9-13/h4-9,17-18H,10H2,1-3H3
InChIKeyMHPHLJFGLXJZEP-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.63
Rot. Bonds4

About 3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol

3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol (PubChem CID 43739022) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol.

Molecular Properties

Compound Name3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
PubChem CID43739022
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
SMILESCOc1c(C)ccc(NCc2cccc(O)c2)c1C
InChIInChI=1S/C16H19NO2/c1-11-7-8-15(12(2)16(11)19-3)17-10-13-5-4-6-14(18)9-13/h4-9,17-18H,10H2,1-3H3
InChIKeyMHPHLJFGLXJZEP-UHFFFAOYSA-N
XLogP3.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline
CID 66473407
3-[[(2-methoxy-3-methylphenyl)methylamino]methyl]phenol
CID 167826049
N-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline
CID 43738958
4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
CID 43738907
2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol
CID 43741704
3-[(3-hydroxyphenyl)methylamino]-2-methylbenzamide
CID 43694119
5-[(3-hydroxyphenyl)methylamino]-2-methylphenol
CID 22983329
3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide
CID 43734564
3-[(2-ethoxy-4-methylanilino)methyl]phenol
CID 54864734
N-[(3-aminophenyl)methyl]-4-methoxy-2,3-dimethylaniline
CID 115211786
4-[(3-methoxy-2,4-dimethylanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202971
3-[[4-fluoro-2-[(3-methylphenyl)methylamino]anilino]methyl]phenol
CID 118500241

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol?
The IUPAC name of 3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol (CID 43739022) is 3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol.
What is the SMILES notation for 3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol?
The canonical SMILES for 3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol is COc1c(C)ccc(NCc2cccc(O)c2)c1C.
What is the InChIKey of 3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol?
The InChIKey is MHPHLJFGLXJZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-7-8-15(12(2)16(11)19-3)17-10-13-5-4-6-14(18)9-13/h4-9,17-18H,10H2,1-3H3.
What are the key properties of 3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol?
3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol has a molecular weight of 257.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol is sourced from PubChem (CID 43739022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).