1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-2-pyridinyl)oxy]propan-2-ol

C19H26N2O5 — CID 13195066

IUPAC1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-2-pyridinyl)oxy]propan-2-ol
SMILESCOc1ccc(CCNCC(O)COc2ncccc2OC)cc1OC
InChIInChI=1S/C19H26N2O5/c1-23-16-7-6-14(11-18(16)25-3)8-10-20-12-15(22)13-26-19-17(24-2)5-4-9-21-19/h4-7,9,11,15,20,22H,8,10,12-13H2,1-3H3
InChIKeyFGMBKOXKZWEZSS-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.68
Rot. Bonds11

About 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-2-pyridinyl)oxy]propan-2-ol

1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-2-pyridinyl)oxy]propan-2-ol (PubChem CID 13195066) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-2-pyridinyl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-2-pyridinyl)oxy]propan-2-ol
PubChem CID13195066
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-2-pyridinyl)oxy]propan-2-ol
SMILESCOc1ccc(CCNCC(O)COc2ncccc2OC)cc1OC
InChIInChI=1S/C19H26N2O5/c1-23-16-7-6-14(11-18(16)25-3)8-10-20-12-15(22)13-26-19-17(24-2)5-4-9-21-19/h4-7,9,11,15,20,22H,8,10,12-13H2,1-3H3
InChIKeyFGMBKOXKZWEZSS-UHFFFAOYSA-N
XLogP1.68
TPSA82.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-2-pyridinyl)oxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-2-pyridinyl)oxy]propan-2-ol?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-2-pyridinyl)oxy]propan-2-ol (CID 13195066) is 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-2-pyridinyl)oxy]propan-2-ol.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-2-pyridinyl)oxy]propan-2-ol?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-2-pyridinyl)oxy]propan-2-ol is COc1ccc(CCNCC(O)COc2ncccc2OC)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-2-pyridinyl)oxy]propan-2-ol?
The InChIKey is FGMBKOXKZWEZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-23-16-7-6-14(11-18(16)25-3)8-10-20-12-15(22)13-26-19-17(24-2)5-4-9-21-19/h4-7,9,11,15,20,22H,8,10,12-13H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-2-pyridinyl)oxy]propan-2-ol?
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-2-pyridinyl)oxy]propan-2-ol has a molecular weight of 362.43 g/mol, XLogP of 1.68, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methoxy-2-pyridinyl)oxy]propan-2-ol is sourced from PubChem (CID 13195066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).