[4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium

C10H17N2O+ — CID 143733505

IUPAC[4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium
SMILESCCN(CCO)c1ccc([NH3+])cc1
InChIInChI=1S/C10H16N2O/c1-2-12(7-8-13)10-5-3-9(11)4-6-10/h3-6,13H,2,7-8,11H2,1H3/p+1
InChIKeyWFXLRLQSHRNHCE-UHFFFAOYSA-O
MW181.26 g/mol
LogP0.38
Rot. Bonds4

About [4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium

[4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium (PubChem CID 143733505) has the molecular formula C10H17N2O+ and a molecular weight of 181.26 g/mol. Its IUPAC name is [4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium.

Molecular Properties

Compound Name[4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium
PubChem CID143733505
Molecular FormulaC10H17N2O+
Molecular Weight181.26 g/mol
Exact Mass181.13
IUPAC Name[4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium
SMILESCCN(CCO)c1ccc([NH3+])cc1
InChIInChI=1S/C10H16N2O/c1-2-12(7-8-13)10-5-3-9(11)4-6-10/h3-6,13H,2,7-8,11H2,1H3/p+1
InChIKeyWFXLRLQSHRNHCE-UHFFFAOYSA-O
XLogP0.38
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-N-ethylanilino)ethanol;hydrate
CID 68828787
2-[4-(aminomethyl)-N-ethylanilino]ethanol
CID 43275884
(1S)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 63371070
2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol
CID 22734616
zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride
CID 91997517
2-[N-ethyl-4-[(E)-2-methylbut-1-enyl]anilino]ethanol
CID 71047580
4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 60981592
2-[N-ethyl-4-[[4-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]sulfanylphenyl]diazenyl]anilino]ethanol
CID 102049909
2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride
CID 70452511
2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol
CID 54866332
4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide
CID 60980240
2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol
CID 54879735

Frequently Asked Questions

What is the IUPAC name of [4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium?
The IUPAC name of [4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium (CID 143733505) is [4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium.
What is the SMILES notation for [4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium?
The canonical SMILES for [4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium is CCN(CCO)c1ccc([NH3+])cc1.
What is the InChIKey of [4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium?
The InChIKey is WFXLRLQSHRNHCE-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H16N2O/c1-2-12(7-8-13)10-5-3-9(11)4-6-10/h3-6,13H,2,7-8,11H2,1H3/p+1.
What are the key properties of [4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium?
[4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium has a molecular weight of 181.26 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium is sourced from PubChem (CID 143733505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).