3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine

C11H17FN2O — CID 64503068

IUPAC3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCc1cncc(F)c1
InChIInChI=1S/C11H17FN2O/c1-15-6-5-13-4-2-3-10-7-11(12)9-14-8-10/h7-9,13H,2-6H2,1H3
InChIKeyBRTVAGLVUMTVQT-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.39
Rot. Bonds7

About 3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine

3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 64503068) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine
PubChem CID64503068
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCc1cncc(F)c1
InChIInChI=1S/C11H17FN2O/c1-15-6-5-13-4-2-3-10-7-11(12)9-14-8-10/h7-9,13H,2-6H2,1H3
InChIKeyBRTVAGLVUMTVQT-UHFFFAOYSA-N
XLogP1.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(5-fluoro-3-pyridinyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 113452860
N-(2-methoxyethyl)-3-pyridin-4-ylpropan-1-amine
CID 62549187
5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65305831
N-[(5-fluoro-3-pyridinyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 104953835
2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol
CID 66037072
N-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 114254464
N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 55134831
3-[3-(2-methoxyethylamino)propyl]aniline
CID 115342052
3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine
CID 104810395
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N-[3-(5-fluoro-3-pyridinyl)propyl]-2-(4-methoxy-3-methylphenyl)furan-3-carboxamide
CID 176672613
3-(3,5-difluorophenyl)-N-propylpropan-1-amine
CID 64504664

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine (CID 64503068) is 3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine is COCCNCCCc1cncc(F)c1.
What is the InChIKey of 3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is BRTVAGLVUMTVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-15-6-5-13-4-2-3-10-7-11(12)9-14-8-10/h7-9,13H,2-6H2,1H3.
What are the key properties of 3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine?
3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 212.27 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 64503068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).