1-(2-aminophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanol

C17H31N3O — CID 102991607

IUPAC1-(2-aminophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanol
SMILESCCN(CC)CCCN(CC)CC(O)c1ccccc1N
InChIInChI=1S/C17H31N3O/c1-4-19(5-2)12-9-13-20(6-3)14-17(21)15-10-7-8-11-16(15)18/h7-8,10-11,17,21H,4-6,9,12-14,18H2,1-3H3
InChIKeyDNMWPIFRBIBNSS-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.36
Rot. Bonds10

About 1-(2-aminophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanol

1-(2-aminophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanol (PubChem CID 102991607) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanol.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanol
PubChem CID102991607
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-(2-aminophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanol
SMILESCCN(CC)CCCN(CC)CC(O)c1ccccc1N
InChIInChI=1S/C17H31N3O/c1-4-19(5-2)12-9-13-20(6-3)14-17(21)15-10-7-8-11-16(15)18/h7-8,10-11,17,21H,4-6,9,12-14,18H2,1-3H3
InChIKeyDNMWPIFRBIBNSS-UHFFFAOYSA-N
XLogP2.36
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol
CID 62264739
1-(2-aminophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol
CID 62266300
3-[[2-(2-aminophenyl)-2-hydroxyethyl]-ethylamino]propanenitrile
CID 62266148
1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol
CID 82071642
1-(2-aminophenyl)-2-[bis(2-methoxyethyl)amino]ethanol
CID 62264582
1-(2-aminophenyl)-3-(dibutylamino)propan-1-ol
CID 82071441
1-(2-aminophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 62265978
N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102992514
1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol
CID 82071464
1-(2-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 81058667
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]-ethylamino]propanenitrile
CID 111634689
1-(2-aminophenyl)-3-methylpentan-1-ol
CID 64832579

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanol?
The IUPAC name of 1-(2-aminophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanol (CID 102991607) is 1-(2-aminophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanol.
What is the SMILES notation for 1-(2-aminophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanol?
The canonical SMILES for 1-(2-aminophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanol is CCN(CC)CCCN(CC)CC(O)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanol?
The InChIKey is DNMWPIFRBIBNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-19(5-2)12-9-13-20(6-3)14-17(21)15-10-7-8-11-16(15)18/h7-8,10-11,17,21H,4-6,9,12-14,18H2,1-3H3.
What are the key properties of 1-(2-aminophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanol?
1-(2-aminophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanol has a molecular weight of 293.45 g/mol, XLogP of 2.36, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanol is sourced from PubChem (CID 102991607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).