N-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine

C11H18N2O2 — CID 103228026

IUPACN-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine
SMILESCCNCC(COC)Oc1cccnc1
InChIInChI=1S/C11H18N2O2/c1-3-12-8-11(9-14-2)15-10-5-4-6-13-7-10/h4-7,11-12H,3,8-9H2,1-2H3
InChIKeyKFWADRFEXMWGKD-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.08
Rot. Bonds7

About N-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine

N-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine (PubChem CID 103228026) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine
PubChem CID103228026
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine
SMILESCCNCC(COC)Oc1cccnc1
InChIInChI=1S/C11H18N2O2/c1-3-12-8-11(9-14-2)15-10-5-4-6-13-7-10/h4-7,11-12H,3,8-9H2,1-2H3
InChIKeyKFWADRFEXMWGKD-UHFFFAOYSA-N
XLogP1.08
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine (CID 103228026) is N-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine is CCNCC(COC)Oc1cccnc1.
What is the InChIKey of N-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine?
The InChIKey is KFWADRFEXMWGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-12-8-11(9-14-2)15-10-5-4-6-13-7-10/h4-7,11-12H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine?
N-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine has a molecular weight of 210.28 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine is sourced from PubChem (CID 103228026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).