2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol

C15H20N2O2 — CID 103992599

IUPAC2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol
SMILESOCCOCCCNCc1ccc2ccccc2n1
InChIInChI=1S/C15H20N2O2/c18-9-11-19-10-3-8-16-12-14-7-6-13-4-1-2-5-15(13)17-14/h1-2,4-7,16,18H,3,8-12H2
InChIKeyHRLHKPMHHJERNE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.72
Rot. Bonds8

About 2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol

2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol (PubChem CID 103992599) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol.

Molecular Properties

Compound Name2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol
PubChem CID103992599
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol
SMILESOCCOCCCNCc1ccc2ccccc2n1
InChIInChI=1S/C15H20N2O2/c18-9-11-19-10-3-8-16-12-14-7-6-13-4-1-2-5-15(13)17-14/h1-2,4-7,16,18H,3,8-12H2
InChIKeyHRLHKPMHHJERNE-UHFFFAOYSA-N
XLogP1.72
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(quinolin-2-ylmethylamino)pentan-1-ol
CID 107302820
2-(quinolin-2-ylmethylamino)ethanol;hydrochloride
CID 54612158
2-[3-(quinolin-2-ylamino)propoxy]ethanol
CID 103990474
2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine
CID 103699309
6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine
CID 114008239
N-(quinolin-2-ylmethyl)hexan-1-amine
CID 60672947
4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine
CID 79039070
3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 103698449
2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine
CID 113429898
2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine
CID 115652347
1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine
CID 43216158
2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol
CID 103992721

Frequently Asked Questions

What is the IUPAC name of 2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol?
The IUPAC name of 2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol (CID 103992599) is 2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol.
What is the SMILES notation for 2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol?
The canonical SMILES for 2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol is OCCOCCCNCc1ccc2ccccc2n1.
What is the InChIKey of 2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol?
The InChIKey is HRLHKPMHHJERNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-9-11-19-10-3-8-16-12-14-7-6-13-4-1-2-5-15(13)17-14/h1-2,4-7,16,18H,3,8-12H2.
What are the key properties of 2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol?
2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol has a molecular weight of 260.34 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol is sourced from PubChem (CID 103992599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).