2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine

C13H19FN2O — CID 116723469

IUPAC2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
SMILESCCOC(C1CC1)C(NC)c1cncc(F)c1
InChIInChI=1S/C13H19FN2O/c1-3-17-13(9-4-5-9)12(15-2)10-6-11(14)8-16-7-10/h6-9,12-13,15H,3-5H2,1-2H3
InChIKeyRPYCSMOPSZZYBZ-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.30
Rot. Bonds6

About 2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine

2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine (PubChem CID 116723469) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
PubChem CID116723469
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
SMILESCCOC(C1CC1)C(NC)c1cncc(F)c1
InChIInChI=1S/C13H19FN2O/c1-3-17-13(9-4-5-9)12(15-2)10-6-11(14)8-16-7-10/h6-9,12-13,15H,3-5H2,1-2H3
InChIKeyRPYCSMOPSZZYBZ-UHFFFAOYSA-N
XLogP2.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 116723511
2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 116772276
2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 116723346
2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 116723290
1-(5-fluoro-3-pyridinyl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 65413773
2-cyclopropyl-1-(5-fluoro-3-pyridinyl)-2-methoxyethanamine
CID 116722038
2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-propylpropan-1-amine
CID 64534211
2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 116772313
1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine
CID 116723314
2-cyclopropyl-1-(2,3-dihydrofuran-5-yl)-2-ethoxy-N-methylethanamine
CID 102652211
2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol
CID 116756591
3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine
CID 105157890

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine (CID 116723469) is 2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine is CCOC(C1CC1)C(NC)c1cncc(F)c1.
What is the InChIKey of 2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
The InChIKey is RPYCSMOPSZZYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-17-13(9-4-5-9)12(15-2)10-6-11(14)8-16-7-10/h6-9,12-13,15H,3-5H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine has a molecular weight of 238.31 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 116723469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).