1-propan-2-yloxy-3-(2-quinolin-8-ylethylamino)propan-2-ol

C17H24N2O2 — CID 81426934

IUPAC1-propan-2-yloxy-3-(2-quinolin-8-ylethylamino)propan-2-ol
SMILESCC(C)OCC(O)CNCCc1cccc2cccnc12
InChIInChI=1S/C17H24N2O2/c1-13(2)21-12-16(20)11-18-10-8-15-6-3-5-14-7-4-9-19-17(14)15/h3-7,9,13,16,18,20H,8,10-12H2,1-2H3
InChIKeyCUEFBICJFOUGEW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.15
Rot. Bonds8

About 1-propan-2-yloxy-3-(2-quinolin-8-ylethylamino)propan-2-ol

1-propan-2-yloxy-3-(2-quinolin-8-ylethylamino)propan-2-ol (PubChem CID 81426934) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-(2-quinolin-8-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-(2-quinolin-8-ylethylamino)propan-2-ol
PubChem CID81426934
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-propan-2-yloxy-3-(2-quinolin-8-ylethylamino)propan-2-ol
SMILESCC(C)OCC(O)CNCCc1cccc2cccnc12
InChIInChI=1S/C17H24N2O2/c1-13(2)21-12-16(20)11-18-10-8-15-6-3-5-14-7-4-9-19-17(14)15/h3-7,9,13,16,18,20H,8,10-12H2,1-2H3
InChIKeyCUEFBICJFOUGEW-UHFFFAOYSA-N
XLogP2.15
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.15
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

1-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81428765
N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine
CID 106452343
1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol
CID 62368265
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
1-cyclopropyl-N-(2-quinolin-8-ylethyl)ethanamine
CID 79692541
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
1-ethoxy-2-(quinolin-8-ylmethylamino)ethanol
CID 169240625
3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid
CID 103258774

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-(2-quinolin-8-ylethylamino)propan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-(2-quinolin-8-ylethylamino)propan-2-ol (CID 81426934) is 1-propan-2-yloxy-3-(2-quinolin-8-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-(2-quinolin-8-ylethylamino)propan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-(2-quinolin-8-ylethylamino)propan-2-ol is CC(C)OCC(O)CNCCc1cccc2cccnc12.
What is the InChIKey of 1-propan-2-yloxy-3-(2-quinolin-8-ylethylamino)propan-2-ol?
The InChIKey is CUEFBICJFOUGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)21-12-16(20)11-18-10-8-15-6-3-5-14-7-4-9-19-17(14)15/h3-7,9,13,16,18,20H,8,10-12H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-3-(2-quinolin-8-ylethylamino)propan-2-ol?
1-propan-2-yloxy-3-(2-quinolin-8-ylethylamino)propan-2-ol has a molecular weight of 288.39 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-(2-quinolin-8-ylethylamino)propan-2-ol is sourced from PubChem (CID 81426934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).