8-fluoro-4-propan-2-ylisoquinolin-1-amine

C12H13FN2 — CID 115063353

IUPAC8-fluoro-4-propan-2-ylisoquinolin-1-amine
SMILESCC(C)c1cnc(N)c2c(F)cccc12
InChIInChI=1S/C12H13FN2/c1-7(2)9-6-15-12(14)11-8(9)4-3-5-10(11)13/h3-7H,1-2H3,(H2,14,15)
InChIKeyYPXIFSVUMUAPCB-UHFFFAOYSA-N
MW204.25 g/mol
LogP3.08
Rot. Bonds1

About 8-fluoro-4-propan-2-ylisoquinolin-1-amine

8-fluoro-4-propan-2-ylisoquinolin-1-amine (PubChem CID 115063353) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 8-fluoro-4-propan-2-ylisoquinolin-1-amine.

Molecular Properties

Compound Name8-fluoro-4-propan-2-ylisoquinolin-1-amine
PubChem CID115063353
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name8-fluoro-4-propan-2-ylisoquinolin-1-amine
SMILESCC(C)c1cnc(N)c2c(F)cccc12
InChIInChI=1S/C12H13FN2/c1-7(2)9-6-15-12(14)11-8(9)4-3-5-10(11)13/h3-7H,1-2H3,(H2,14,15)
InChIKeyYPXIFSVUMUAPCB-UHFFFAOYSA-N
XLogP3.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-propan-2-ylisoquinolin-1-amine?
The IUPAC name of 8-fluoro-4-propan-2-ylisoquinolin-1-amine (CID 115063353) is 8-fluoro-4-propan-2-ylisoquinolin-1-amine.
What is the SMILES notation for 8-fluoro-4-propan-2-ylisoquinolin-1-amine?
The canonical SMILES for 8-fluoro-4-propan-2-ylisoquinolin-1-amine is CC(C)c1cnc(N)c2c(F)cccc12.
What is the InChIKey of 8-fluoro-4-propan-2-ylisoquinolin-1-amine?
The InChIKey is YPXIFSVUMUAPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-7(2)9-6-15-12(14)11-8(9)4-3-5-10(11)13/h3-7H,1-2H3,(H2,14,15).
What are the key properties of 8-fluoro-4-propan-2-ylisoquinolin-1-amine?
8-fluoro-4-propan-2-ylisoquinolin-1-amine has a molecular weight of 204.25 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-propan-2-ylisoquinolin-1-amine is sourced from PubChem (CID 115063353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).