7-fluoro-1,8-dimethyl-5,6-dihydroisoquinolin-3-amine

C11H13FN2 — CID 168918606

IUPAC7-fluoro-1,8-dimethyl-5,6-dihydroisoquinolin-3-amine
SMILESCC1=C(F)CCc2cc(N)nc(C)c21
InChIInChI=1S/C11H13FN2/c1-6-9(12)4-3-8-5-10(13)14-7(2)11(6)8/h5H,3-4H2,1-2H3,(H2,13,14)
InChIKeyIVEPBUHZKJTTMU-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.62
Rot. Bonds

About 7-fluoro-1,8-dimethyl-5,6-dihydroisoquinolin-3-amine

7-fluoro-1,8-dimethyl-5,6-dihydroisoquinolin-3-amine (PubChem CID 168918606) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 7-fluoro-1,8-dimethyl-5,6-dihydroisoquinolin-3-amine.

Molecular Properties

Compound Name7-fluoro-1,8-dimethyl-5,6-dihydroisoquinolin-3-amine
PubChem CID168918606
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name7-fluoro-1,8-dimethyl-5,6-dihydroisoquinolin-3-amine
SMILESCC1=C(F)CCc2cc(N)nc(C)c21
InChIInChI=1S/C11H13FN2/c1-6-9(12)4-3-8-5-10(13)14-7(2)11(6)8/h5H,3-4H2,1-2H3,(H2,13,14)
InChIKeyIVEPBUHZKJTTMU-UHFFFAOYSA-N
XLogP2.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,8-dimethyl-5,6-dihydroisoquinolin-3-amine?
The IUPAC name of 7-fluoro-1,8-dimethyl-5,6-dihydroisoquinolin-3-amine (CID 168918606) is 7-fluoro-1,8-dimethyl-5,6-dihydroisoquinolin-3-amine.
What is the SMILES notation for 7-fluoro-1,8-dimethyl-5,6-dihydroisoquinolin-3-amine?
The canonical SMILES for 7-fluoro-1,8-dimethyl-5,6-dihydroisoquinolin-3-amine is CC1=C(F)CCc2cc(N)nc(C)c21.
What is the InChIKey of 7-fluoro-1,8-dimethyl-5,6-dihydroisoquinolin-3-amine?
The InChIKey is IVEPBUHZKJTTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-6-9(12)4-3-8-5-10(13)14-7(2)11(6)8/h5H,3-4H2,1-2H3,(H2,13,14).
What are the key properties of 7-fluoro-1,8-dimethyl-5,6-dihydroisoquinolin-3-amine?
7-fluoro-1,8-dimethyl-5,6-dihydroisoquinolin-3-amine has a molecular weight of 192.24 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,8-dimethyl-5,6-dihydroisoquinolin-3-amine is sourced from PubChem (CID 168918606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).