[2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine

C13H13FN2O — CID 114199215

IUPAC[2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine
SMILESNCc1cccnc1COc1ccccc1F
InChIInChI=1S/C13H13FN2O/c14-11-5-1-2-6-13(11)17-9-12-10(8-15)4-3-7-16-12/h1-7H,8-9,15H2
InChIKeyGHZAITOKSHHQNI-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.26
Rot. Bonds4

About [2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine

[2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine (PubChem CID 114199215) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is [2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine
PubChem CID114199215
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name[2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine
SMILESNCc1cccnc1COc1ccccc1F
InChIInChI=1S/C13H13FN2O/c14-11-5-1-2-6-13(11)17-9-12-10(8-15)4-3-7-16-12/h1-7H,8-9,15H2
InChIKeyGHZAITOKSHHQNI-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-methoxyphenoxy)methyl]-3-pyridinyl]methanamine
CID 114199233
3-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464415
[2-(phenoxymethyl)-3-pyridinyl]methanamine
CID 105467789
[2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine
CID 114199212
[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 63933252
[2-fluoro-6-[(3-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 112649743
[2-[(4-methylphenoxy)methyl]-3-pyridinyl]methanamine
CID 105485819
2-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112651124
[2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine
CID 16791044
[3-(2-fluorophenoxy)pyrazin-2-yl]methanamine
CID 62672553
[3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117180945
[3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine
CID 117170781

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine?
The IUPAC name of [2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine (CID 114199215) is [2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine.
What is the SMILES notation for [2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine?
The canonical SMILES for [2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine is NCc1cccnc1COc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine?
The InChIKey is GHZAITOKSHHQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-11-5-1-2-6-13(11)17-9-12-10(8-15)4-3-7-16-12/h1-7H,8-9,15H2.
What are the key properties of [2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine?
[2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine has a molecular weight of 232.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 114199215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).