N-ethyl-3-(2-methoxyphenoxy)-3-pyridin-2-yloxypropan-1-amine;oxalic acid

C19H24N2O7 — CID 70605692

IUPACN-ethyl-3-(2-methoxyphenoxy)-3-pyridin-2-yloxypropan-1-amine;oxalic acid
SMILESCCNCCC(Oc1ccccn1)Oc1ccccc1OC.O=C(O)C(=O)O
InChIInChI=1S/C17H22N2O3.C2H2O4/c1-3-18-13-11-17(22-16-10-6-7-12-19-16)21-15-9-5-4-8-14(15)20-2;3-1(4)2(5)6/h4-10,12,17-18H,3,11,13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyJRCABLOGLBACOM-UHFFFAOYSA-N
MW392.41 g/mol
LogP2.03
Rot. Bonds9

About N-ethyl-3-(2-methoxyphenoxy)-3-pyridin-2-yloxypropan-1-amine;oxalic acid

N-ethyl-3-(2-methoxyphenoxy)-3-pyridin-2-yloxypropan-1-amine;oxalic acid (PubChem CID 70605692) has the molecular formula C19H24N2O7 and a molecular weight of 392.41 g/mol. Its IUPAC name is N-ethyl-3-(2-methoxyphenoxy)-3-pyridin-2-yloxypropan-1-amine;oxalic acid.

Molecular Properties

Compound NameN-ethyl-3-(2-methoxyphenoxy)-3-pyridin-2-yloxypropan-1-amine;oxalic acid
PubChem CID70605692
Molecular FormulaC19H24N2O7
Molecular Weight392.41 g/mol
Exact Mass392.16
IUPAC NameN-ethyl-3-(2-methoxyphenoxy)-3-pyridin-2-yloxypropan-1-amine;oxalic acid
SMILESCCNCCC(Oc1ccccn1)Oc1ccccc1OC.O=C(O)C(=O)O
InChIInChI=1S/C17H22N2O3.C2H2O4/c1-3-18-13-11-17(22-16-10-6-7-12-19-16)21-15-9-5-4-8-14(15)20-2;3-1(4)2(5)6/h4-10,12,17-18H,3,11,13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyJRCABLOGLBACOM-UHFFFAOYSA-N
XLogP2.03
TPSA127.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenoxy)-N-(2-pyridin-2-yloxyethyl)ethanamine;oxalic acid
CID 21321292
2-pentan-3-yloxypyridine
CID 45091035
2-pyridin-2-yloxypentanoic acid
CID 69474855
(3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine
CID 122581769
2-pyridin-2-yloxypropanal
CID 173353438
3-methoxy-2-(2-methoxyphenoxy)propanoic acid
CID 103223945
3-(ethylamino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 62834607
2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid
CID 63041236
methyl 2-pyridin-2-yloxyacetate
CID 45091085
3-(2-bromophenoxy)-N-ethyl-3-phenylpropan-1-amine;formic acid
CID 67845393
N-[2-(ethylamino)ethyl]-2,6-dimethoxybenzamide
CID 62658406
pyridin-2-yl 3,4-dimethoxybenzoate
CID 35206042

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methoxyphenoxy)-3-pyridin-2-yloxypropan-1-amine;oxalic acid?
The IUPAC name of N-ethyl-3-(2-methoxyphenoxy)-3-pyridin-2-yloxypropan-1-amine;oxalic acid (CID 70605692) is N-ethyl-3-(2-methoxyphenoxy)-3-pyridin-2-yloxypropan-1-amine;oxalic acid.
What is the SMILES notation for N-ethyl-3-(2-methoxyphenoxy)-3-pyridin-2-yloxypropan-1-amine;oxalic acid?
The canonical SMILES for N-ethyl-3-(2-methoxyphenoxy)-3-pyridin-2-yloxypropan-1-amine;oxalic acid is CCNCCC(Oc1ccccn1)Oc1ccccc1OC.O=C(O)C(=O)O.
What is the InChIKey of N-ethyl-3-(2-methoxyphenoxy)-3-pyridin-2-yloxypropan-1-amine;oxalic acid?
The InChIKey is JRCABLOGLBACOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3.C2H2O4/c1-3-18-13-11-17(22-16-10-6-7-12-19-16)21-15-9-5-4-8-14(15)20-2;3-1(4)2(5)6/h4-10,12,17-18H,3,11,13H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N-ethyl-3-(2-methoxyphenoxy)-3-pyridin-2-yloxypropan-1-amine;oxalic acid?
N-ethyl-3-(2-methoxyphenoxy)-3-pyridin-2-yloxypropan-1-amine;oxalic acid has a molecular weight of 392.41 g/mol, XLogP of 2.03, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methoxyphenoxy)-3-pyridin-2-yloxypropan-1-amine;oxalic acid is sourced from PubChem (CID 70605692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).