2-ethoxy-2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine

C16H22N2O — CID 114941479

IUPAC2-ethoxy-2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
SMILESCCOC(C)(C)CNCc1ccc2ccccc2n1
InChIInChI=1S/C16H22N2O/c1-4-19-16(2,3)12-17-11-14-10-9-13-7-5-6-8-15(13)18-14/h5-10,17H,4,11-12H2,1-3H3
InChIKeyNISJGIDVXWYNQN-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.14
Rot. Bonds6

About 2-ethoxy-2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine

2-ethoxy-2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine (PubChem CID 114941479) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
PubChem CID114941479
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-ethoxy-2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
SMILESCCOC(C)(C)CNCc1ccc2ccccc2n1
InChIInChI=1S/C16H22N2O/c1-4-19-16(2,3)12-17-11-14-10-9-13-7-5-6-8-15(13)18-14/h5-10,17H,4,11-12H2,1-3H3
InChIKeyNISJGIDVXWYNQN-UHFFFAOYSA-N
XLogP3.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(quinolin-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 79032042
3-methyl-3-(quinolin-2-ylmethylamino)pentan-1-ol
CID 103768861
2-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropan-1-amine
CID 114941119
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774
2-(quinolin-2-ylmethylamino)ethanol;hydrochloride
CID 54612158
4-ethyl-N-(quinolin-2-ylmethyl)aniline
CID 29292689
N-(quinolin-2-ylmethyl)hexan-1-amine
CID 60672947
N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-2-ylmethanamine
CID 63306755
2-ethoxy-N-(quinolin-2-ylmethyl)aniline
CID 28774803
1-(4-ethylcyclohexyl)-N-(quinolin-2-ylmethyl)methanamine
CID 63491346
2-ethoxy-2-methyl-N-[(4-phenylphenyl)methyl]propan-1-amine
CID 114941062
N-(quinolin-2-ylmethyl)butan-2-amine
CID 43183332

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-ethoxy-2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine (CID 114941479) is 2-ethoxy-2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-ethoxy-2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine is CCOC(C)(C)CNCc1ccc2ccccc2n1.
What is the InChIKey of 2-ethoxy-2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine?
The InChIKey is NISJGIDVXWYNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-19-16(2,3)12-17-11-14-10-9-13-7-5-6-8-15(13)18-14/h5-10,17H,4,11-12H2,1-3H3.
What are the key properties of 2-ethoxy-2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine?
2-ethoxy-2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 114941479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).