(4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium

C15H19N2O+ — CID 4090046

IUPAC(4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
SMILESCCOc1ccc(C[NH2+]Cc2cccnc2)cc1
InChIInChI=1S/C15H18N2O/c1-2-18-15-7-5-13(6-8-15)10-17-12-14-4-3-9-16-11-14/h3-9,11,17H,2,10,12H2,1H3/p+1
InChIKeyBPNSZEZLJVCJAW-UHFFFAOYSA-O
MW243.33 g/mol
LogP1.74
Rot. Bonds6

About (4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium

(4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium (PubChem CID 4090046) has the molecular formula C15H19N2O+ and a molecular weight of 243.33 g/mol. Its IUPAC name is (4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium.

Molecular Properties

Compound Name(4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
PubChem CID4090046
Molecular FormulaC15H19N2O+
Molecular Weight243.33 g/mol
Exact Mass243.15
IUPAC Name(4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
SMILESCCOc1ccc(C[NH2+]Cc2cccnc2)cc1
InChIInChI=1S/C15H18N2O/c1-2-18-15-7-5-13(6-8-15)10-17-12-14-4-3-9-16-11-14/h3-9,11,17H,2,10,12H2,1H3/p+1
InChIKeyBPNSZEZLJVCJAW-UHFFFAOYSA-O
XLogP1.74
TPSA38.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(pyridin-3-ylmethyl)azanium
CID 6946562
(2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4090047
pyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium
CID 6946563
(3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 7228103
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
(3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 7228189
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
(3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4086182
(2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 5045085
2-methylpropyl(pyridin-3-ylmethyl)azanium
CID 7808850
N'-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)propanediamide
CID 108947690
2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid
CID 82344800

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
The IUPAC name of (4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium (CID 4090046) is (4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium.
What is the SMILES notation for (4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
The canonical SMILES for (4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium is CCOc1ccc(C[NH2+]Cc2cccnc2)cc1.
What is the InChIKey of (4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
The InChIKey is BPNSZEZLJVCJAW-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N2O/c1-2-18-15-7-5-13(6-8-15)10-17-12-14-4-3-9-16-11-14/h3-9,11,17H,2,10,12H2,1H3/p+1.
What are the key properties of (4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
(4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium has a molecular weight of 243.33 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium is sourced from PubChem (CID 4090046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).