N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid

C19H24N2O5 — CID 2843156

IUPACN-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
SMILESCCOc1ccc(CN(C)CCc2ccccn2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H22N2O.C2H2O4/c1-3-20-17-9-7-15(8-10-17)14-19(2)13-11-16-6-4-5-12-18-16;3-1(4)2(5)6/h4-10,12H,3,11,13-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyUDVJPDITZGZPHL-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.31
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid

N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid (PubChem CID 2843156) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
PubChem CID2843156
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
SMILESCCOc1ccc(CN(C)CCc2ccccn2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H22N2O.C2H2O4/c1-3-20-17-9-7-15(8-10-17)14-19(2)13-11-16-6-4-5-12-18-16;3-1(4)2(5)6/h4-10,12H,3,11,13-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyUDVJPDITZGZPHL-UHFFFAOYSA-N
XLogP2.31
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid (CID 2843156) is N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid is CCOc1ccc(CN(C)CCc2ccccn2)cc1.O=C(O)C(=O)O.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid?
The InChIKey is UDVJPDITZGZPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O.C2H2O4/c1-3-20-17-9-7-15(8-10-17)14-19(2)13-11-16-6-4-5-12-18-16;3-1(4)2(5)6/h4-10,12H,3,11,13-14H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid?
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid has a molecular weight of 360.41 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid is sourced from PubChem (CID 2843156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).