3-[[2-(ethylamino)ethylamino]methyl]phenol

C11H18N2O — CID 83962894

IUPAC3-[[2-(ethylamino)ethylamino]methyl]phenol
SMILESCCNCCNCc1cccc(O)c1
InChIInChI=1S/C11H18N2O/c1-2-12-6-7-13-9-10-4-3-5-11(14)8-10/h3-5,8,12-14H,2,6-7,9H2,1H3
InChIKeyYQAOWKFWRJOXLG-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.09
Rot. Bonds6

About 3-[[2-(ethylamino)ethylamino]methyl]phenol

3-[[2-(ethylamino)ethylamino]methyl]phenol (PubChem CID 83962894) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[[2-(ethylamino)ethylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[2-(ethylamino)ethylamino]methyl]phenol
PubChem CID83962894
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-[[2-(ethylamino)ethylamino]methyl]phenol
SMILESCCNCCNCc1cccc(O)c1
InChIInChI=1S/C11H18N2O/c1-2-12-6-7-13-9-10-4-3-5-11(14)8-10/h3-5,8,12-14H,2,6-7,9H2,1H3
InChIKeyYQAOWKFWRJOXLG-UHFFFAOYSA-N
XLogP1.09
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(propylaminomethyl)phenol
CID 10725714
3-[(3-aminopentylamino)methyl]phenol
CID 163670713
3-[(4-methylpentylamino)methyl]phenol
CID 60744251
3-[(2-methylbutylamino)methyl]phenol
CID 62694321
3-[(4-methylsulfanylbutylamino)methyl]phenol
CID 115639371
3-[(2,2-dimethylpropylamino)methyl]phenol
CID 61168386
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]phenol
CID 62316398
3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol
CID 23439773
3-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78910580
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
3-[(2-methylpentylamino)methyl]phenol
CID 115905193

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)ethylamino]methyl]phenol?
The IUPAC name of 3-[[2-(ethylamino)ethylamino]methyl]phenol (CID 83962894) is 3-[[2-(ethylamino)ethylamino]methyl]phenol.
What is the SMILES notation for 3-[[2-(ethylamino)ethylamino]methyl]phenol?
The canonical SMILES for 3-[[2-(ethylamino)ethylamino]methyl]phenol is CCNCCNCc1cccc(O)c1.
What is the InChIKey of 3-[[2-(ethylamino)ethylamino]methyl]phenol?
The InChIKey is YQAOWKFWRJOXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-12-6-7-13-9-10-4-3-5-11(14)8-10/h3-5,8,12-14H,2,6-7,9H2,1H3.
What are the key properties of 3-[[2-(ethylamino)ethylamino]methyl]phenol?
3-[[2-(ethylamino)ethylamino]methyl]phenol has a molecular weight of 194.28 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)ethylamino]methyl]phenol is sourced from PubChem (CID 83962894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).