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

C12H19FN2O — CID 104739049

IUPAC3-(3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCNCC(C)Cc1ccncc1F
InChIInChI=1S/C12H19FN2O/c1-10(8-15-5-6-16-2)7-11-3-4-14-9-12(11)13/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyWIUPIFZYLKXGML-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.64
Rot. Bonds7

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

3-(3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (PubChem CID 104739049) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 3-(3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
PubChem CID104739049
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name3-(3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCNCC(C)Cc1ccncc1F
InChIInChI=1S/C12H19FN2O/c1-10(8-15-5-6-16-2)7-11-3-4-14-9-12(11)13/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyWIUPIFZYLKXGML-UHFFFAOYSA-N
XLogP1.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.64
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

3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 103396765
1-(3-fluoro-4-pyridinyl)-2-(2-methoxyethylamino)ethanol
CID 104739344
3-fluoro-4-(methoxymethyl)pyridine
CID 143620796
3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 116811094
3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62725480
2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103984662
3-(2-bromo-5-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65327170
N-[2-(3-fluoro-4-pyridinyl)ethyl]propan-2-amine
CID 104738943
3-[3-(ethylamino)-2-methylpropyl]pyridin-4-amine
CID 64663911
4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64665475
1-(3-fluoro-4-pyridinyl)-3-methoxy-N-methylpropan-1-amine
CID 104738162
N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide
CID 171523645

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (CID 104739049) is 3-(3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is COCCNCC(C)Cc1ccncc1F.
What is the InChIKey of 3-(3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The InChIKey is WIUPIFZYLKXGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-10(8-15-5-6-16-2)7-11-3-4-14-9-12(11)13/h3-4,9-10,15H,5-8H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
3-(3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine has a molecular weight of 226.29 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 104739049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).