3-(2-ethoxy-3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)propan-1-amine

C13H21FN2O2 — CID 114270472

IUPAC3-(2-ethoxy-3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)propan-1-amine
SMILESCCOc1nccc(CCCNCCOC)c1F
InChIInChI=1S/C13H21FN2O2/c1-3-18-13-12(14)11(6-8-16-13)5-4-7-15-9-10-17-2/h6,8,15H,3-5,7,9-10H2,1-2H3
InChIKeyXXESAAXDJKDBNR-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.79
Rot. Bonds9

About 3-(2-ethoxy-3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)propan-1-amine

3-(2-ethoxy-3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 114270472) has the molecular formula C13H21FN2O2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 3-(2-ethoxy-3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-ethoxy-3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)propan-1-amine
PubChem CID114270472
Molecular FormulaC13H21FN2O2
Molecular Weight256.32 g/mol
Exact Mass256.16
IUPAC Name3-(2-ethoxy-3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)propan-1-amine
SMILESCCOc1nccc(CCCNCCOC)c1F
InChIInChI=1S/C13H21FN2O2/c1-3-18-13-12(14)11(6-8-16-13)5-4-7-15-9-10-17-2/h6,8,15H,3-5,7,9-10H2,1-2H3
InChIKeyXXESAAXDJKDBNR-UHFFFAOYSA-N
XLogP1.79
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.79
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

N-(2-methoxyethyl)-3-pyridin-4-ylpropan-1-amine
CID 62549187
N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 105391746
3-(4-ethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 64503762
N-(2-methoxyethyl)-2-(2,3,4-trifluorophenyl)ethanamine
CID 62965672
3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 62603094
2-[3-(2-methoxyethylamino)propyl]aniline
CID 107274451
[3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine
CID 105391741
2-chloro-3-fluoro-4-(2-methoxyethyl)pyridine
CID 171815314
1-ethoxy-N-(2-methoxyethyl)isoquinolin-6-amine
CID 82572566
1-(3-fluoro-2-hexoxy-4-pyridinyl)-N-methylmethanamine
CID 105390952
N-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine
CID 103180864
1-(2-ethoxy-3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propan-1-one
CID 114270335

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-(2-ethoxy-3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)propan-1-amine (CID 114270472) is 3-(2-ethoxy-3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(2-ethoxy-3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-(2-ethoxy-3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)propan-1-amine is CCOc1nccc(CCCNCCOC)c1F.
What is the InChIKey of 3-(2-ethoxy-3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is XXESAAXDJKDBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2/c1-3-18-13-12(14)11(6-8-16-13)5-4-7-15-9-10-17-2/h6,8,15H,3-5,7,9-10H2,1-2H3.
What are the key properties of 3-(2-ethoxy-3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)propan-1-amine?
3-(2-ethoxy-3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 256.32 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 114270472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).