2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol

C17H22N2O2 — CID 62114756

IUPAC2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol
SMILESNc1ccc(OCCN(CCO)Cc2ccccc2)cc1
InChIInChI=1S/C17H22N2O2/c18-16-6-8-17(9-7-16)21-13-11-19(10-12-20)14-15-4-2-1-3-5-15/h1-9,20H,10-14,18H2
InChIKeyHVTUOVASNBWPIU-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.14
Rot. Bonds8

About 2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol

2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol (PubChem CID 62114756) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol.

Molecular Properties

Compound Name2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol
PubChem CID62114756
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol
SMILESNc1ccc(OCCN(CCO)Cc2ccccc2)cc1
InChIInChI=1S/C17H22N2O2/c18-16-6-8-17(9-7-16)21-13-11-19(10-12-20)14-15-4-2-1-3-5-15/h1-9,20H,10-14,18H2
InChIKeyHVTUOVASNBWPIU-UHFFFAOYSA-N
XLogP2.14
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl-[2-(2-methylphenoxy)ethyl]amino]ethanol
CID 60685253
benzyl N,N-bis[2-(4-aminophenoxy)ethyl]carbamate
CID 135223658
2-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 110910679
2-[2-hydroxyethyl-[4-[4-(2-phenylethyl)phenoxy]butyl]amino]ethanol
CID 20544935
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol
CID 158603014
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol
CID 61069966
4-[3-[benzyl-[3-(4-carbamimidoylphenoxy)propyl]amino]propoxy]benzenecarboximidamide
CID 127042273
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol?
The IUPAC name of 2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol (CID 62114756) is 2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol.
What is the SMILES notation for 2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol?
The canonical SMILES for 2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol is Nc1ccc(OCCN(CCO)Cc2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol?
The InChIKey is HVTUOVASNBWPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c18-16-6-8-17(9-7-16)21-13-11-19(10-12-20)14-15-4-2-1-3-5-15/h1-9,20H,10-14,18H2.
What are the key properties of 2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol?
2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol has a molecular weight of 286.38 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol is sourced from PubChem (CID 62114756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).