2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine

C16H22N2O — CID 115652347

IUPAC2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine
SMILESCC(C)COCCNCc1ccc2ccccc2n1
InChIInChI=1S/C16H22N2O/c1-13(2)12-19-10-9-17-11-15-8-7-14-5-3-4-6-16(14)18-15/h3-8,13,17H,9-12H2,1-2H3
InChIKeyBIRMBQQLJCCHKO-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.00
Rot. Bonds7

About 2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine

2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine (PubChem CID 115652347) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine
PubChem CID115652347
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine
SMILESCC(C)COCCNCc1ccc2ccccc2n1
InChIInChI=1S/C16H22N2O/c1-13(2)12-19-10-9-17-11-15-8-7-14-5-3-4-6-16(14)18-15/h3-8,13,17H,9-12H2,1-2H3
InChIKeyBIRMBQQLJCCHKO-UHFFFAOYSA-N
XLogP3.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine
CID 113429898
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774
2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine
CID 103699309
2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol
CID 103992599
2-(quinolin-2-ylmethylamino)ethanol;hydrochloride
CID 54612158
N-(quinolin-2-ylmethyl)hexan-1-amine
CID 60672947
N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115626597
N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584591
N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220
4-methyl-N-(quinolin-2-ylmethyl)pentan-2-amine
CID 43372170
N-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide
CID 70839107
6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine
CID 114008239

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine (CID 115652347) is 2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine is CC(C)COCCNCc1ccc2ccccc2n1.
What is the InChIKey of 2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine?
The InChIKey is BIRMBQQLJCCHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13(2)12-19-10-9-17-11-15-8-7-14-5-3-4-6-16(14)18-15/h3-8,13,17H,9-12H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine?
2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine has a molecular weight of 258.37 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine is sourced from PubChem (CID 115652347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).