2-[[2-(dimethylamino)anilino]methyl]phenol

C15H18N2O — CID 43726496

IUPAC2-[[2-(dimethylamino)anilino]methyl]phenol
SMILESCN(C)c1ccccc1NCc1ccccc1O
InChIInChI=1S/C15H18N2O/c1-17(2)14-9-5-4-8-13(14)16-11-12-7-3-6-10-15(12)18/h3-10,16,18H,11H2,1-2H3
InChIKeyNOXUBRWBEZDEDI-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.07
Rot. Bonds4

About 2-[[2-(dimethylamino)anilino]methyl]phenol

2-[[2-(dimethylamino)anilino]methyl]phenol (PubChem CID 43726496) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)anilino]methyl]phenol.

Molecular Properties

Compound Name2-[[2-(dimethylamino)anilino]methyl]phenol
PubChem CID43726496
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[[2-(dimethylamino)anilino]methyl]phenol
SMILESCN(C)c1ccccc1NCc1ccccc1O
InChIInChI=1S/C15H18N2O/c1-17(2)14-9-5-4-8-13(14)16-11-12-7-3-6-10-15(12)18/h3-10,16,18H,11H2,1-2H3
InChIKeyNOXUBRWBEZDEDI-UHFFFAOYSA-N
XLogP3.07
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726538
1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726653
2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol
CID 43726584
3-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726536
2-[(2-methylanilino)methyl]phenol
CID 3240149
2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 43726392
2-[[2-(hydroxymethyl)anilino]methyl]phenol
CID 43743175
4-[[2-[(dimethylamino)methyl]anilino]methyl]benzene-1,2,3-triol
CID 107730732
2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol
CID 115377279
2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol
CID 43676965
3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzene-1,2-diol
CID 61318267
2-[(2,3-dimethylanilino)methyl]phenol
CID 3236047

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)anilino]methyl]phenol?
The IUPAC name of 2-[[2-(dimethylamino)anilino]methyl]phenol (CID 43726496) is 2-[[2-(dimethylamino)anilino]methyl]phenol.
What is the SMILES notation for 2-[[2-(dimethylamino)anilino]methyl]phenol?
The canonical SMILES for 2-[[2-(dimethylamino)anilino]methyl]phenol is CN(C)c1ccccc1NCc1ccccc1O.
What is the InChIKey of 2-[[2-(dimethylamino)anilino]methyl]phenol?
The InChIKey is NOXUBRWBEZDEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17(2)14-9-5-4-8-13(14)16-11-12-7-3-6-10-15(12)18/h3-10,16,18H,11H2,1-2H3.
What are the key properties of 2-[[2-(dimethylamino)anilino]methyl]phenol?
2-[[2-(dimethylamino)anilino]methyl]phenol has a molecular weight of 242.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)anilino]methyl]phenol is sourced from PubChem (CID 43726496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).