1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol

C14H24N2O — CID 62264739

IUPAC1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol
SMILESCCCCN(CC)CC(O)c1ccccc1N
InChIInChI=1S/C14H24N2O/c1-3-5-10-16(4-2)11-14(17)12-8-6-7-9-13(12)15/h6-9,14,17H,3-5,10-11,15H2,1-2H3
InChIKeyRJMIAIROWIYRJT-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.42
Rot. Bonds7

About 1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol

1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol (PubChem CID 62264739) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol
PubChem CID62264739
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol
SMILESCCCCN(CC)CC(O)c1ccccc1N
InChIInChI=1S/C14H24N2O/c1-3-5-10-16(4-2)11-14(17)12-8-6-7-9-13(12)15/h6-9,14,17H,3-5,10-11,15H2,1-2H3
InChIKeyRJMIAIROWIYRJT-UHFFFAOYSA-N
XLogP2.42
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol?
The IUPAC name of 1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol (CID 62264739) is 1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol.
What is the SMILES notation for 1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol?
The canonical SMILES for 1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol is CCCCN(CC)CC(O)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol?
The InChIKey is RJMIAIROWIYRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-5-10-16(4-2)11-14(17)12-8-6-7-9-13(12)15/h6-9,14,17H,3-5,10-11,15H2,1-2H3.
What are the key properties of 1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol?
1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol has a molecular weight of 236.36 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol is sourced from PubChem (CID 62264739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).