N-(4-fluoro-3-methoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine

C12H15FN2O — CID 114839431

IUPACN-(4-fluoro-3-methoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCOc1cc(NC2=NCCCC2)ccc1F
InChIInChI=1S/C12H15FN2O/c1-16-11-8-9(5-6-10(11)13)15-12-4-2-3-7-14-12/h5-6,8H,2-4,7H2,1H3,(H,14,15)
InChIKeyOTTGNJUTSQGACX-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.83
Rot. Bonds2

About N-(4-fluoro-3-methoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine

N-(4-fluoro-3-methoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 114839431) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID114839431
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCOc1cc(NC2=NCCCC2)ccc1F
InChIInChI=1S/C12H15FN2O/c1-16-11-8-9(5-6-10(11)13)15-12-4-2-3-7-14-12/h5-6,8H,2-4,7H2,1H3,(H,14,15)
InChIKeyOTTGNJUTSQGACX-UHFFFAOYSA-N
XLogP2.83
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 114839431) is N-(4-fluoro-3-methoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine is COc1cc(NC2=NCCCC2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is OTTGNJUTSQGACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-16-11-8-9(5-6-10(11)13)15-12-4-2-3-7-14-12/h5-6,8H,2-4,7H2,1H3,(H,14,15).
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(4-fluoro-3-methoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 222.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 114839431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).