6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine

C13H21FN2O — CID 55002889

IUPAC6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(CCOC)c1cccc(F)n1
InChIInChI=1S/C13H21FN2O/c1-4-11(5-2)16(9-10-17-3)13-8-6-7-12(14)15-13/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyQFUHOUBPRPCLNJ-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.86
Rot. Bonds7

About 6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine

6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine (PubChem CID 55002889) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
PubChem CID55002889
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(CCOC)c1cccc(F)n1
InChIInChI=1S/C13H21FN2O/c1-4-11(5-2)16(9-10-17-3)13-8-6-7-12(14)15-13/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyQFUHOUBPRPCLNJ-UHFFFAOYSA-N
XLogP2.86
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[6-[2-methoxyethyl(pentan-3-yl)amino]-2-pyridinyl]methanol
CID 62255181
6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
CID 55052887
6-[2-methoxyethyl(pentan-3-yl)amino]pyridine-2-carboxylic acid
CID 55053038
6-fluoro-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 61230139
5-chloro-6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
CID 55003117
2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine
CID 80900777
4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine
CID 80821328
3,5,6-trifluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
CID 114072484
[6-[2-methoxyethyl(pentan-3-yl)amino]pyrazin-2-yl]methanol
CID 66466606
[6-[2-methoxyethyl(pentan-3-yl)amino]-3-pyridinyl]methanol
CID 55002823
6-N-ethyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpyrazine-2,6-diamine
CID 80820303
6-N-ethyl-4-N-(2-methoxyethyl)-2-methylsulfanyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80787308

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine?
The IUPAC name of 6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine (CID 55002889) is 6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine?
The canonical SMILES for 6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine is CCC(CC)N(CCOC)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine?
The InChIKey is QFUHOUBPRPCLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-4-11(5-2)16(9-10-17-3)13-8-6-7-12(14)15-13/h6-8,11H,4-5,9-10H2,1-3H3.
What are the key properties of 6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine?
6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine has a molecular weight of 240.32 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine is sourced from PubChem (CID 55002889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).