2-(aminomethyl)-4-[2-(diethylamino)ethyl]phenol

C13H22N2O — CID 105479658

IUPAC2-(aminomethyl)-4-[2-(diethylamino)ethyl]phenol
SMILESCCN(CC)CCc1ccc(O)c(CN)c1
InChIInChI=1S/C13H22N2O/c1-3-15(4-2)8-7-11-5-6-13(16)12(9-11)10-14/h5-6,9,16H,3-4,7-8,10,14H2,1-2H3
InChIKeyWZVYTKAFKGWMID-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.74
Rot. Bonds6

About 2-(aminomethyl)-4-[2-(diethylamino)ethyl]phenol

2-(aminomethyl)-4-[2-(diethylamino)ethyl]phenol (PubChem CID 105479658) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(aminomethyl)-4-[2-(diethylamino)ethyl]phenol.

Molecular Properties

Compound Name2-(aminomethyl)-4-[2-(diethylamino)ethyl]phenol
PubChem CID105479658
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(aminomethyl)-4-[2-(diethylamino)ethyl]phenol
SMILESCCN(CC)CCc1ccc(O)c(CN)c1
InChIInChI=1S/C13H22N2O/c1-3-15(4-2)8-7-11-5-6-13(16)12(9-11)10-14/h5-6,9,16H,3-4,7-8,10,14H2,1-2H3
InChIKeyWZVYTKAFKGWMID-UHFFFAOYSA-N
XLogP1.74
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.74
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

2-(aminomethyl)-4-propylphenol
CID 12652118
4-(2-aminoethyl)-2-(aminomethyl)phenol
CID 105433039
4-[2-[ethyl(propyl)amino]ethyl]benzene-1,2-diol;hydrochloride
CID 90672365
4-[2-[butyl(ethyl)amino]ethyl]benzene-1,2-diol;hydrochloride
CID 90672367
4-[2-(dimethylamino)ethyl]-2-(2-hydroxyethyl)phenol
CID 117299095
4-amino-2-[[3-(diethylamino)propyl-ethylamino]methyl]phenol
CID 102991610
5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide
CID 14901824
4-[2-(diethylamino)ethyl]-2-methoxyaniline
CID 89182820
4-[2-(dimethylamino)ethyl]-2-(3-hydroxypropyl)phenol
CID 117320433
2-(aminomethyl)-4-[3-[5-(1-sulfanylethyl)thiophen-2-yl]pentyl]phenol
CID 174482210
2-(aminomethyl)benzene-1,4-diol;hydrobromide
CID 21390124
4-[2-[pentyl(propyl)amino]ethyl]benzene-1,2-diol;hydrochloride
CID 90672369

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-[2-(diethylamino)ethyl]phenol?
The IUPAC name of 2-(aminomethyl)-4-[2-(diethylamino)ethyl]phenol (CID 105479658) is 2-(aminomethyl)-4-[2-(diethylamino)ethyl]phenol.
What is the SMILES notation for 2-(aminomethyl)-4-[2-(diethylamino)ethyl]phenol?
The canonical SMILES for 2-(aminomethyl)-4-[2-(diethylamino)ethyl]phenol is CCN(CC)CCc1ccc(O)c(CN)c1.
What is the InChIKey of 2-(aminomethyl)-4-[2-(diethylamino)ethyl]phenol?
The InChIKey is WZVYTKAFKGWMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-15(4-2)8-7-11-5-6-13(16)12(9-11)10-14/h5-6,9,16H,3-4,7-8,10,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-[2-(diethylamino)ethyl]phenol?
2-(aminomethyl)-4-[2-(diethylamino)ethyl]phenol has a molecular weight of 222.33 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-[2-(diethylamino)ethyl]phenol is sourced from PubChem (CID 105479658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).