5-fluoro-6-[2-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)ethyl]pyridin-2-amine

C20H21FN2O — CID 69248721

IUPAC5-fluoro-6-[2-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)ethyl]pyridin-2-amine
SMILESCOC1(CCc2nc(N)ccc2F)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C20H21FN2O/c1-24-20(13-11-18-17(21)9-10-19(22)23-18)12-5-8-16(14-20)15-6-3-2-4-7-15/h2-10,12H,11,13-14H2,1H3,(H2,22,23)
InChIKeyIJPFNRYLVWGVSP-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.16
Rot. Bonds5

About 5-fluoro-6-[2-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)ethyl]pyridin-2-amine

5-fluoro-6-[2-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)ethyl]pyridin-2-amine (PubChem CID 69248721) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 5-fluoro-6-[2-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-6-[2-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)ethyl]pyridin-2-amine
PubChem CID69248721
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name5-fluoro-6-[2-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)ethyl]pyridin-2-amine
SMILESCOC1(CCc2nc(N)ccc2F)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C20H21FN2O/c1-24-20(13-11-18-17(21)9-10-19(22)23-18)12-5-8-16(14-20)15-6-3-2-4-7-15/h2-10,12H,11,13-14H2,1H3,(H2,22,23)
InChIKeyIJPFNRYLVWGVSP-UHFFFAOYSA-N
XLogP4.16
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[2-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-fluoro-6-[2-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)ethyl]pyridin-2-amine (CID 69248721) is 5-fluoro-6-[2-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-6-[2-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-6-[2-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)ethyl]pyridin-2-amine is COC1(CCc2nc(N)ccc2F)C=CC=C(c2ccccc2)C1.
What is the InChIKey of 5-fluoro-6-[2-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)ethyl]pyridin-2-amine?
The InChIKey is IJPFNRYLVWGVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-24-20(13-11-18-17(21)9-10-19(22)23-18)12-5-8-16(14-20)15-6-3-2-4-7-15/h2-10,12H,11,13-14H2,1H3,(H2,22,23).
What are the key properties of 5-fluoro-6-[2-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)ethyl]pyridin-2-amine?
5-fluoro-6-[2-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)ethyl]pyridin-2-amine has a molecular weight of 324.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[2-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 69248721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).