2-[1-(3-aminophenyl)ethyl-propylamino]ethanol

C13H22N2O — CID 61424975

IUPAC2-[1-(3-aminophenyl)ethyl-propylamino]ethanol
SMILESCCCN(CCO)C(C)c1cccc(N)c1
InChIInChI=1S/C13H22N2O/c1-3-7-15(8-9-16)11(2)12-5-4-6-13(14)10-12/h4-6,10-11,16H,3,7-9,14H2,1-2H3
InChIKeyHHTFMZPCJHVDNC-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.03
Rot. Bonds6

About 2-[1-(3-aminophenyl)ethyl-propylamino]ethanol

2-[1-(3-aminophenyl)ethyl-propylamino]ethanol (PubChem CID 61424975) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[1-(3-aminophenyl)ethyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[1-(3-aminophenyl)ethyl-propylamino]ethanol
PubChem CID61424975
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[1-(3-aminophenyl)ethyl-propylamino]ethanol
SMILESCCCN(CCO)C(C)c1cccc(N)c1
InChIInChI=1S/C13H22N2O/c1-3-7-15(8-9-16)11(2)12-5-4-6-13(14)10-12/h4-6,10-11,16H,3,7-9,14H2,1-2H3
InChIKeyHHTFMZPCJHVDNC-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline
CID 79476910
3-[1-[cyclopropyl(propyl)amino]ethyl]aniline
CID 61262198
1-(3-aminophenyl)-2-(dipropylamino)ethanol
CID 55055730
2-[[2-amino-1-(3-fluorophenyl)propyl]-propylamino]ethanol
CID 55020152
3-[1-[methyl(2-methylbutyl)amino]ethyl]aniline
CID 61262568
(1S,2R)-2-(dipropylamino)-1-phenylpropan-1-ol
CID 11118019
1-[1-(3-aminophenyl)ethyl]-3-butyl-1-methylurea
CID 43551136
N-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide
CID 43549185
N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715
3-[1-[(2,6-difluorophenyl)methyl-methylamino]ethyl]aniline
CID 114930497
2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide
CID 106591163
2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol
CID 55019360

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-aminophenyl)ethyl-propylamino]ethanol?
The IUPAC name of 2-[1-(3-aminophenyl)ethyl-propylamino]ethanol (CID 61424975) is 2-[1-(3-aminophenyl)ethyl-propylamino]ethanol.
What is the SMILES notation for 2-[1-(3-aminophenyl)ethyl-propylamino]ethanol?
The canonical SMILES for 2-[1-(3-aminophenyl)ethyl-propylamino]ethanol is CCCN(CCO)C(C)c1cccc(N)c1.
What is the InChIKey of 2-[1-(3-aminophenyl)ethyl-propylamino]ethanol?
The InChIKey is HHTFMZPCJHVDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-7-15(8-9-16)11(2)12-5-4-6-13(14)10-12/h4-6,10-11,16H,3,7-9,14H2,1-2H3.
What are the key properties of 2-[1-(3-aminophenyl)ethyl-propylamino]ethanol?
2-[1-(3-aminophenyl)ethyl-propylamino]ethanol has a molecular weight of 222.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-aminophenyl)ethyl-propylamino]ethanol is sourced from PubChem (CID 61424975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).