1-(3-methoxy-4-pyridinyl)-2-propoxyethanamine

C11H18N2O2 — CID 105065820

IUPAC1-(3-methoxy-4-pyridinyl)-2-propoxyethanamine
SMILESCCCOCC(N)c1ccncc1OC
InChIInChI=1S/C11H18N2O2/c1-3-6-15-8-10(12)9-4-5-13-7-11(9)14-2/h4-5,7,10H,3,6,8,12H2,1-2H3
InChIKeyDYBOLRNTXOMFIS-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.52
Rot. Bonds6

About 1-(3-methoxy-4-pyridinyl)-2-propoxyethanamine

1-(3-methoxy-4-pyridinyl)-2-propoxyethanamine (PubChem CID 105065820) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(3-methoxy-4-pyridinyl)-2-propoxyethanamine.

Molecular Properties

Compound Name1-(3-methoxy-4-pyridinyl)-2-propoxyethanamine
PubChem CID105065820
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(3-methoxy-4-pyridinyl)-2-propoxyethanamine
SMILESCCCOCC(N)c1ccncc1OC
InChIInChI=1S/C11H18N2O2/c1-3-6-15-8-10(12)9-4-5-13-7-11(9)14-2/h4-5,7,10H,3,6,8,12H2,1-2H3
InChIKeyDYBOLRNTXOMFIS-UHFFFAOYSA-N
XLogP1.52
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxy-4-pyridinyl)propan-1-amine
CID 105065142
1-(2-methoxyphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63686924
4-[(1S)-1-amino-2-methoxyethyl]pyridin-3-ol
CID 55294329
1-(3-methoxy-4-pyridinyl)pentan-1-ol
CID 105066220
1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine
CID 105065744
1-(3-methoxy-4-pyridinyl)-4-methylsulfonylbutan-1-amine
CID 105065316
(1R)-2-methoxy-1-(4-methyl-3-pyridinyl)ethanamine
CID 55292197
1-(3-methoxy-4-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 105065538
2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065635
(3-methoxy-4-pyridinyl)-pyrimidin-5-ylmethanamine
CID 105065336
[1-(3-ethyl-4-pyridinyl)-2-propoxyethyl]hydrazine
CID 105262063
1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine
CID 104660008

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-pyridinyl)-2-propoxyethanamine?
The IUPAC name of 1-(3-methoxy-4-pyridinyl)-2-propoxyethanamine (CID 105065820) is 1-(3-methoxy-4-pyridinyl)-2-propoxyethanamine.
What is the SMILES notation for 1-(3-methoxy-4-pyridinyl)-2-propoxyethanamine?
The canonical SMILES for 1-(3-methoxy-4-pyridinyl)-2-propoxyethanamine is CCCOCC(N)c1ccncc1OC.
What is the InChIKey of 1-(3-methoxy-4-pyridinyl)-2-propoxyethanamine?
The InChIKey is DYBOLRNTXOMFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-6-15-8-10(12)9-4-5-13-7-11(9)14-2/h4-5,7,10H,3,6,8,12H2,1-2H3.
What are the key properties of 1-(3-methoxy-4-pyridinyl)-2-propoxyethanamine?
1-(3-methoxy-4-pyridinyl)-2-propoxyethanamine has a molecular weight of 210.28 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-pyridinyl)-2-propoxyethanamine is sourced from PubChem (CID 105065820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).