(2-ethoxyphenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium

C17H23N2O+ — CID 4582205

IUPAC(2-ethoxyphenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium
SMILESCCOc1ccccc1C[NH+](C)CCc1ccccn1
InChIInChI=1S/C17H22N2O/c1-3-20-17-10-5-4-8-15(17)14-19(2)13-11-16-9-6-7-12-18-16/h4-10,12H,3,11,13-14H2,1-2H3/p+1
InChIKeyLHHGWYDWMULYLK-UHFFFAOYSA-O
MW271.38 g/mol
LogP1.74
Rot. Bonds7

About (2-ethoxyphenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium

(2-ethoxyphenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium (PubChem CID 4582205) has the molecular formula C17H23N2O+ and a molecular weight of 271.38 g/mol. Its IUPAC name is (2-ethoxyphenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium.

Molecular Properties

Compound Name(2-ethoxyphenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium
PubChem CID4582205
Molecular FormulaC17H23N2O+
Molecular Weight271.38 g/mol
Exact Mass271.18
IUPAC Name(2-ethoxyphenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium
SMILESCCOc1ccccc1C[NH+](C)CCc1ccccn1
InChIInChI=1S/C17H22N2O/c1-3-20-17-10-5-4-8-15(17)14-19(2)13-11-16-9-6-7-12-18-16/h4-10,12H,3,11,13-14H2,1-2H3/p+1
InChIKeyLHHGWYDWMULYLK-UHFFFAOYSA-O
XLogP1.74
TPSA26.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium
CID 5220542
3-(2-ethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 78805128
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111191566
[3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine
CID 60891453
methyl-(2-phenylethyl)-(pyridin-2-ylmethyl)azanium
CID 6938055
2-[methyl(2-pyridin-2-ylethyl)azaniumyl]acetate
CID 29052902
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine
CID 43366814
[3-ethoxy-2-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 43366673
1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
CID 141096945
(2-ethoxyphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124262
4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline
CID 43260203
N-methyl-1-[2-[2-(2-pyridin-2-ylethoxy)ethoxy]phenyl]methanamine
CID 62455565

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium?
The IUPAC name of (2-ethoxyphenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium (CID 4582205) is (2-ethoxyphenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium.
What is the SMILES notation for (2-ethoxyphenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium?
The canonical SMILES for (2-ethoxyphenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium is CCOc1ccccc1C[NH+](C)CCc1ccccn1.
What is the InChIKey of (2-ethoxyphenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium?
The InChIKey is LHHGWYDWMULYLK-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H22N2O/c1-3-20-17-10-5-4-8-15(17)14-19(2)13-11-16-9-6-7-12-18-16/h4-10,12H,3,11,13-14H2,1-2H3/p+1.
What are the key properties of (2-ethoxyphenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium?
(2-ethoxyphenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium has a molecular weight of 271.38 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium is sourced from PubChem (CID 4582205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).