(3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium

C17H23N2O2+ — CID 7449497

IUPAC(3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium
SMILESCCOc1ccc(C[NH2+]Cc2ccccn2)cc1OCC
InChIInChI=1S/C17H22N2O2/c1-3-20-16-9-8-14(11-17(16)21-4-2)12-18-13-15-7-5-6-10-19-15/h5-11,18H,3-4,12-13H2,1-2H3/p+1
InChIKeyTZRXSGROTHCNSC-UHFFFAOYSA-O
MW287.38 g/mol
LogP2.14
Rot. Bonds8

About (3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium

(3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium (PubChem CID 7449497) has the molecular formula C17H23N2O2+ and a molecular weight of 287.38 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium
PubChem CID7449497
Molecular FormulaC17H23N2O2+
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name(3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium
SMILESCCOc1ccc(C[NH2+]Cc2ccccn2)cc1OCC
InChIInChI=1S/C17H22N2O2/c1-3-20-16-9-8-14(11-17(16)21-4-2)12-18-13-15-7-5-6-10-19-15/h5-11,18H,3-4,12-13H2,1-2H3/p+1
InChIKeyTZRXSGROTHCNSC-UHFFFAOYSA-O
XLogP2.14
TPSA47.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-(pyridin-2-ylmethyl)azanium
CID 7228263
[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium chloride
CID 44664783
(3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 7228103
benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium
CID 7951691
(3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium
CID 7458290
1-(3-ethoxy-4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 6459415
(3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8635968
(3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8636164
1,3-benzodioxol-5-ylmethyl-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]azanium
CID 7458480
butyl(pyridin-2-ylmethyl)azanium
CID 40508011
[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635379
3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185318

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium?
The IUPAC name of (3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium (CID 7449497) is (3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium.
What is the SMILES notation for (3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium?
The canonical SMILES for (3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium is CCOc1ccc(C[NH2+]Cc2ccccn2)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium?
The InChIKey is TZRXSGROTHCNSC-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H22N2O2/c1-3-20-16-9-8-14(11-17(16)21-4-2)12-18-13-15-7-5-6-10-19-15/h5-11,18H,3-4,12-13H2,1-2H3/p+1.
What are the key properties of (3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium?
(3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium has a molecular weight of 287.38 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium is sourced from PubChem (CID 7449497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).