1-cyclopropyl-5-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinoline

C13H16FN — CID 64687799

IUPAC1-cyclopropyl-5-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CNC(C2CC2)c2cccc(F)c21
InChIInChI=1S/C13H16FN/c1-8-7-15-13(9-5-6-9)10-3-2-4-11(14)12(8)10/h2-4,8-9,13,15H,5-7H2,1H3
InChIKeyDZCINSOCOQUNLQ-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.98
Rot. Bonds1

About 1-cyclopropyl-5-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinoline

1-cyclopropyl-5-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64687799) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-cyclopropyl-5-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-cyclopropyl-5-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID64687799
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name1-cyclopropyl-5-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CNC(C2CC2)c2cccc(F)c21
InChIInChI=1S/C13H16FN/c1-8-7-15-13(9-5-6-9)10-3-2-4-11(14)12(8)10/h2-4,8-9,13,15H,5-7H2,1H3
InChIKeyDZCINSOCOQUNLQ-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-cyclopropyl-5-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinoline (CID 64687799) is 1-cyclopropyl-5-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-cyclopropyl-5-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-cyclopropyl-5-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinoline is CC1CNC(C2CC2)c2cccc(F)c21.
What is the InChIKey of 1-cyclopropyl-5-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is DZCINSOCOQUNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c1-8-7-15-13(9-5-6-9)10-3-2-4-11(14)12(8)10/h2-4,8-9,13,15H,5-7H2,1H3.
What are the key properties of 1-cyclopropyl-5-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinoline?
1-cyclopropyl-5-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 205.28 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64687799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).