1-(3-fluorophenyl)-2-pyridin-3-yloxyethanamine

C13H13FN2O — CID 117242787

IUPAC1-(3-fluorophenyl)-2-pyridin-3-yloxyethanamine
SMILESNC(COc1cccnc1)c1cccc(F)c1
InChIInChI=1S/C13H13FN2O/c14-11-4-1-3-10(7-11)13(15)9-17-12-5-2-6-16-8-12/h1-8,13H,9,15H2
InChIKeyKSJIHBUXJOBUSH-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.30
Rot. Bonds4

About 1-(3-fluorophenyl)-2-pyridin-3-yloxyethanamine

1-(3-fluorophenyl)-2-pyridin-3-yloxyethanamine (PubChem CID 117242787) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-pyridin-3-yloxyethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-pyridin-3-yloxyethanamine
PubChem CID117242787
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name1-(3-fluorophenyl)-2-pyridin-3-yloxyethanamine
SMILESNC(COc1cccnc1)c1cccc(F)c1
InChIInChI=1S/C13H13FN2O/c14-11-4-1-3-10(7-11)13(15)9-17-12-5-2-6-16-8-12/h1-8,13H,9,15H2
InChIKeyKSJIHBUXJOBUSH-UHFFFAOYSA-N
XLogP2.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-2-pyridin-3-yloxyethanamine
CID 117242794
2-(3-fluoro-4-methylphenoxy)-1-(3-fluorophenyl)ethanamine
CID 107524173
2-(2-fluorophenoxy)-1-(3-fluorophenyl)ethanamine
CID 18070424
1-(3-fluorophenyl)-2-methoxyethanamine
CID 45283501
3-[(3-fluorophenyl)methoxy]pyridine
CID 18758418
2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine
CID 107523915
1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine
CID 117243775
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine
CID 117242309
1-(3-fluorophenyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanamine
CID 107523834
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-pyridin-3-yloxypentan-2-amine
CID 117241763

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-pyridin-3-yloxyethanamine?
The IUPAC name of 1-(3-fluorophenyl)-2-pyridin-3-yloxyethanamine (CID 117242787) is 1-(3-fluorophenyl)-2-pyridin-3-yloxyethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-2-pyridin-3-yloxyethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-2-pyridin-3-yloxyethanamine is NC(COc1cccnc1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-pyridin-3-yloxyethanamine?
The InChIKey is KSJIHBUXJOBUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-11-4-1-3-10(7-11)13(15)9-17-12-5-2-6-16-8-12/h1-8,13H,9,15H2.
What are the key properties of 1-(3-fluorophenyl)-2-pyridin-3-yloxyethanamine?
1-(3-fluorophenyl)-2-pyridin-3-yloxyethanamine has a molecular weight of 232.26 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-pyridin-3-yloxyethanamine is sourced from PubChem (CID 117242787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).