2-(2,4-dichlorophenyl)-2-methoxy-2-(3-methoxypropoxy)ethanamine

C13H19Cl2NO3 — CID 144898026

IUPAC2-(2,4-dichlorophenyl)-2-methoxy-2-(3-methoxypropoxy)ethanamine
SMILESCOCCCOC(CN)(OC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO3/c1-17-6-3-7-19-13(9-16,18-2)11-5-4-10(14)8-12(11)15/h4-5,8H,3,6-7,9,16H2,1-2H3
InChIKeyQNGXQEUEAXODNG-UHFFFAOYSA-N
MW308.20 g/mol
LogP2.80
Rot. Bonds8

About 2-(2,4-dichlorophenyl)-2-methoxy-2-(3-methoxypropoxy)ethanamine

2-(2,4-dichlorophenyl)-2-methoxy-2-(3-methoxypropoxy)ethanamine (PubChem CID 144898026) has the molecular formula C13H19Cl2NO3 and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-methoxy-2-(3-methoxypropoxy)ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-methoxy-2-(3-methoxypropoxy)ethanamine
PubChem CID144898026
Molecular FormulaC13H19Cl2NO3
Molecular Weight308.20 g/mol
Exact Mass307.07
IUPAC Name2-(2,4-dichlorophenyl)-2-methoxy-2-(3-methoxypropoxy)ethanamine
SMILESCOCCCOC(CN)(OC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO3/c1-17-6-3-7-19-13(9-16,18-2)11-5-4-10(14)8-12(11)15/h4-5,8H,3,6-7,9,16H2,1-2H3
InChIKeyQNGXQEUEAXODNG-UHFFFAOYSA-N
XLogP2.80
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-methoxy-2-(3-methoxypropoxy)ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-methoxy-2-(3-methoxypropoxy)ethanamine (CID 144898026) is 2-(2,4-dichlorophenyl)-2-methoxy-2-(3-methoxypropoxy)ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-methoxy-2-(3-methoxypropoxy)ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-methoxy-2-(3-methoxypropoxy)ethanamine is COCCCOC(CN)(OC)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-methoxy-2-(3-methoxypropoxy)ethanamine?
The InChIKey is QNGXQEUEAXODNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO3/c1-17-6-3-7-19-13(9-16,18-2)11-5-4-10(14)8-12(11)15/h4-5,8H,3,6-7,9,16H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-2-methoxy-2-(3-methoxypropoxy)ethanamine?
2-(2,4-dichlorophenyl)-2-methoxy-2-(3-methoxypropoxy)ethanamine has a molecular weight of 308.20 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-methoxy-2-(3-methoxypropoxy)ethanamine is sourced from PubChem (CID 144898026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).