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

C15H17NO — CID 3640285

IUPAC2-[(3,4-dimethylanilino)methyl]phenol
SMILESCc1ccc(NCc2ccccc2O)cc1C
InChIInChI=1S/C15H17NO/c1-11-7-8-14(9-12(11)2)16-10-13-5-3-4-6-15(13)17/h3-9,16-17H,10H2,1-2H3
InChIKeyJRGUMMNYLCUHIB-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.62
Rot. Bonds3

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

2-[(3,4-dimethylanilino)methyl]phenol (PubChem CID 3640285) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[(3,4-dimethylanilino)methyl]phenol.

Molecular Properties

Compound Name2-[(3,4-dimethylanilino)methyl]phenol
PubChem CID3640285
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-[(3,4-dimethylanilino)methyl]phenol
SMILESCc1ccc(NCc2ccccc2O)cc1C
InChIInChI=1S/C15H17NO/c1-11-7-8-14(9-12(11)2)16-10-13-5-3-4-6-15(13)17/h3-9,16-17H,10H2,1-2H3
InChIKeyJRGUMMNYLCUHIB-UHFFFAOYSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(3,4-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

4-(Benzylamino)phenol
CID 7637
Alpha-(meta-toluidino)-ortho-cresol
CID 3236648
Alpha-(para-toluidino)-ortho-cresol
CID 4114014
4-Amino-2-((Diethylamino)Methyl)Phenol
CID 408991
[11C]4-N-methylamino-4-hydroxystilbene
CID 5702297
4-(4-(Methylamino)styryl)phenol
CID 10013901
4-(Benzylamino)-1-naphthol
CID 17937479
4-(Isopropylamino)-1-naphthol
CID 44465702
4-(2-(Diethylamino)ethylamino)-1-naphthol
CID 44466196
4-(Pent-3-ylamino)-1-naphthol
CID 45487171
Mls002667152
CID 240953
2-(Anilinomethyl)phenol
CID 220804

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylanilino)methyl]phenol?
The IUPAC name of 2-[(3,4-dimethylanilino)methyl]phenol (CID 3640285) is 2-[(3,4-dimethylanilino)methyl]phenol.
What is the SMILES notation for 2-[(3,4-dimethylanilino)methyl]phenol?
The canonical SMILES for 2-[(3,4-dimethylanilino)methyl]phenol is Cc1ccc(NCc2ccccc2O)cc1C.
What is the InChIKey of 2-[(3,4-dimethylanilino)methyl]phenol?
The InChIKey is JRGUMMNYLCUHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-7-8-14(9-12(11)2)16-10-13-5-3-4-6-15(13)17/h3-9,16-17H,10H2,1-2H3.
What are the key properties of 2-[(3,4-dimethylanilino)methyl]phenol?
2-[(3,4-dimethylanilino)methyl]phenol has a molecular weight of 227.31 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylanilino)methyl]phenol is sourced from PubChem (CID 3640285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).