2-[4-(aminomethyl)-N-ethylanilino]ethanol

C11H18N2O — CID 43275884

IUPAC2-[4-(aminomethyl)-N-ethylanilino]ethanol
SMILESCCN(CCO)c1ccc(CN)cc1
InChIInChI=1S/C11H18N2O/c1-2-13(7-8-14)11-5-3-10(9-12)4-6-11/h3-6,14H,2,7-9,12H2,1H3
InChIKeyZPIBVTRJPWWDCO-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.96
Rot. Bonds5

About 2-[4-(aminomethyl)-N-ethylanilino]ethanol

2-[4-(aminomethyl)-N-ethylanilino]ethanol (PubChem CID 43275884) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-N-ethylanilino]ethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-N-ethylanilino]ethanol
PubChem CID43275884
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[4-(aminomethyl)-N-ethylanilino]ethanol
SMILESCCN(CCO)c1ccc(CN)cc1
InChIInChI=1S/C11H18N2O/c1-2-13(7-8-14)11-5-3-10(9-12)4-6-11/h3-6,14H,2,7-9,12H2,1H3
InChIKeyZPIBVTRJPWWDCO-UHFFFAOYSA-N
XLogP0.96
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-N-ethylanilino)ethanol;hydrate
CID 68828787
4-(aminomethyl)-N-ethyl-N-octylaniline
CID 43275853
4-(aminomethyl)-N-ethyl-N-(2-ethylsulfonylethyl)aniline
CID 43807520
[4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium
CID 143733505
2-[4-(aminomethyl)-N-ethylanilino]acetamide
CID 43275827
2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol
CID 54879735
zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride
CID 91997517
4-(aminomethyl)-N-(2-tert-butylsulfonylethyl)-N-ethylaniline
CID 106722660
2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol
CID 60979832
4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline
CID 43587074
(1S)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 63371070
4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 60981592

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-N-ethylanilino]ethanol?
The IUPAC name of 2-[4-(aminomethyl)-N-ethylanilino]ethanol (CID 43275884) is 2-[4-(aminomethyl)-N-ethylanilino]ethanol.
What is the SMILES notation for 2-[4-(aminomethyl)-N-ethylanilino]ethanol?
The canonical SMILES for 2-[4-(aminomethyl)-N-ethylanilino]ethanol is CCN(CCO)c1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)-N-ethylanilino]ethanol?
The InChIKey is ZPIBVTRJPWWDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-13(7-8-14)11-5-3-10(9-12)4-6-11/h3-6,14H,2,7-9,12H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-N-ethylanilino]ethanol?
2-[4-(aminomethyl)-N-ethylanilino]ethanol has a molecular weight of 194.28 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-N-ethylanilino]ethanol is sourced from PubChem (CID 43275884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).