3-[[2-(diethylaminomethyl)anilino]methyl]phenol

C18H24N2O — CID 43729325

IUPAC3-[[2-(diethylaminomethyl)anilino]methyl]phenol
SMILESCCN(CC)Cc1ccccc1NCc1cccc(O)c1
InChIInChI=1S/C18H24N2O/c1-3-20(4-2)14-16-9-5-6-11-18(16)19-13-15-8-7-10-17(21)12-15/h5-12,19,21H,3-4,13-14H2,1-2H3
InChIKeyRLJPYZNBFRZMOY-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.85
Rot. Bonds7

About 3-[[2-(diethylaminomethyl)anilino]methyl]phenol

3-[[2-(diethylaminomethyl)anilino]methyl]phenol (PubChem CID 43729325) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[[2-(diethylaminomethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name3-[[2-(diethylaminomethyl)anilino]methyl]phenol
PubChem CID43729325
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-[[2-(diethylaminomethyl)anilino]methyl]phenol
SMILESCCN(CC)Cc1ccccc1NCc1cccc(O)c1
InChIInChI=1S/C18H24N2O/c1-3-20(4-2)14-16-9-5-6-11-18(16)19-13-15-8-7-10-17(21)12-15/h5-12,19,21H,3-4,13-14H2,1-2H3
InChIKeyRLJPYZNBFRZMOY-UHFFFAOYSA-N
XLogP3.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(diethylaminomethyl)anilino]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

2-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline
CID 43729313
3-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726536
2-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399592
3-[[2-(pyrazol-1-ylmethyl)anilino]methyl]phenol
CID 43693851
2-(diethylaminomethyl)-N-methylaniline
CID 23009383
2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline
CID 43435902
[5-[[2-(diethylaminomethyl)anilino]methyl]furan-2-yl]methanol
CID 64580557
3-[(2-propoxyanilino)methyl]phenol
CID 43682286
2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline
CID 43750090
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207
2-(diethylaminomethyl)-N-(2-methylpropyl)aniline
CID 43729309
N-[4-(diethylamino)butyl]-3-[(2-ethylanilino)methyl]benzamide
CID 84556601

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(diethylaminomethyl)anilino]methyl]phenol?
The IUPAC name of 3-[[2-(diethylaminomethyl)anilino]methyl]phenol (CID 43729325) is 3-[[2-(diethylaminomethyl)anilino]methyl]phenol.
What is the SMILES notation for 3-[[2-(diethylaminomethyl)anilino]methyl]phenol?
The canonical SMILES for 3-[[2-(diethylaminomethyl)anilino]methyl]phenol is CCN(CC)Cc1ccccc1NCc1cccc(O)c1.
What is the InChIKey of 3-[[2-(diethylaminomethyl)anilino]methyl]phenol?
The InChIKey is RLJPYZNBFRZMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-20(4-2)14-16-9-5-6-11-18(16)19-13-15-8-7-10-17(21)12-15/h5-12,19,21H,3-4,13-14H2,1-2H3.
What are the key properties of 3-[[2-(diethylaminomethyl)anilino]methyl]phenol?
3-[[2-(diethylaminomethyl)anilino]methyl]phenol has a molecular weight of 284.40 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(diethylaminomethyl)anilino]methyl]phenol is sourced from PubChem (CID 43729325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).