[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine

C13H13FN2O — CID 83918620

IUPAC[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine
SMILESCOc1ccc(-c2ccc(CN)cn2)cc1F
InChIInChI=1S/C13H13FN2O/c1-17-13-5-3-10(6-11(13)14)12-4-2-9(7-15)8-16-12/h2-6,8H,7,15H2,1H3
InChIKeyHNVZOLZUHACKIS-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.36
Rot. Bonds3

About [6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine

[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine (PubChem CID 83918620) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is [6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine
PubChem CID83918620
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine
SMILESCOc1ccc(-c2ccc(CN)cn2)cc1F
InChIInChI=1S/C13H13FN2O/c1-17-13-5-3-10(6-11(13)14)12-4-2-9(7-15)8-16-12/h2-6,8H,7,15H2,1H3
InChIKeyHNVZOLZUHACKIS-UHFFFAOYSA-N
XLogP2.36
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-5-propylpyridine
CID 21286189
2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine
CID 19850593
[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine
CID 82475463
5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 57445392
5-ethyl-2-(3-fluoro-4-octadecoxyphenyl)pyridine
CID 21286193
5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine
CID 21286166
2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol
CID 117001680
2-(3-fluoro-4-octadecoxyphenyl)-5-octylpyridine
CID 21286212
2-(4-dodecoxy-3-fluorophenyl)-5-pentylpyridine
CID 21286203
2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 65233281
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline
CID 117041608

Frequently Asked Questions

What is the IUPAC name of [6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine?
The IUPAC name of [6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine (CID 83918620) is [6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine is COc1ccc(-c2ccc(CN)cn2)cc1F.
What is the InChIKey of [6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine?
The InChIKey is HNVZOLZUHACKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-17-13-5-3-10(6-11(13)14)12-4-2-9(7-15)8-16-12/h2-6,8H,7,15H2,1H3.
What are the key properties of [6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine?
[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine has a molecular weight of 232.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 83918620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).