2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol

C11H18N2O3 — CID 106307016

IUPAC2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol
SMILESCOc1cccc(NCCCOCCO)n1
InChIInChI=1S/C11H18N2O3/c1-15-11-5-2-4-10(13-11)12-6-3-8-16-9-7-14/h2,4-5,14H,3,6-9H2,1H3,(H,12,13)
InChIKeyMUADMFVWSVEJMU-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.90
Rot. Bonds8

About 2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol

2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol (PubChem CID 106307016) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol
PubChem CID106307016
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol
SMILESCOc1cccc(NCCCOCCO)n1
InChIInChI=1S/C11H18N2O3/c1-15-11-5-2-4-10(13-11)12-6-3-8-16-9-7-14/h2,4-5,14H,3,6-9H2,1H3,(H,12,13)
InChIKeyMUADMFVWSVEJMU-UHFFFAOYSA-N
XLogP0.90
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

6-[(6-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848852
6-methoxy-N-(3-methylsulfanylpropyl)pyridin-2-amine
CID 63965720
6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 55259536
6-methoxy-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104762395
2-[3-(quinolin-2-ylamino)propoxy]ethanol
CID 103990474
6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine
CID 63591649
N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 63591094
6-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 63965022
6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine
CID 63590219
5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol
CID 107318017
6-chloro-N-(3-ethoxypropyl)pyridin-2-amine
CID 53410274
3-[(6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 63590933

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol?
The IUPAC name of 2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol (CID 106307016) is 2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol?
The canonical SMILES for 2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol is COc1cccc(NCCCOCCO)n1.
What is the InChIKey of 2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol?
The InChIKey is MUADMFVWSVEJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-15-11-5-2-4-10(13-11)12-6-3-8-16-9-7-14/h2,4-5,14H,3,6-9H2,1H3,(H,12,13).
What are the key properties of 2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol?
2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol has a molecular weight of 226.28 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol is sourced from PubChem (CID 106307016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).