2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine

C15H20N2O — CID 113429898

IUPAC2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine
SMILESCC(C)OCCNCc1ccc2ccccc2n1
InChIInChI=1S/C15H20N2O/c1-12(2)18-10-9-16-11-14-8-7-13-5-3-4-6-15(13)17-14/h3-8,12,16H,9-11H2,1-2H3
InChIKeyLAAGBOZMVCXOLH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.75
Rot. Bonds6

About 2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine

2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine (PubChem CID 113429898) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine
PubChem CID113429898
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine
SMILESCC(C)OCCNCc1ccc2ccccc2n1
InChIInChI=1S/C15H20N2O/c1-12(2)18-10-9-16-11-14-8-7-13-5-3-4-6-15(13)17-14/h3-8,12,16H,9-11H2,1-2H3
InChIKeyLAAGBOZMVCXOLH-UHFFFAOYSA-N
XLogP2.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine
CID 115652347
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774
2-(quinolin-2-ylmethylamino)ethanol;hydrochloride
CID 54612158
2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine
CID 103699309
N-(quinolin-2-ylmethyl)hexan-1-amine
CID 60672947
2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol
CID 103992599
N-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide
CID 70839107
6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine
CID 114008239
5-(quinolin-2-ylmethylamino)pentan-1-ol
CID 107302820
4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine
CID 79039070
N-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 80701789
azane;N-benzyl-2-propan-2-yloxyethanamine
CID 68981527

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine?
The IUPAC name of 2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine (CID 113429898) is 2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine is CC(C)OCCNCc1ccc2ccccc2n1.
What is the InChIKey of 2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine?
The InChIKey is LAAGBOZMVCXOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(2)18-10-9-16-11-14-8-7-13-5-3-4-6-15(13)17-14/h3-8,12,16H,9-11H2,1-2H3.
What are the key properties of 2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine?
2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine is sourced from PubChem (CID 113429898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).