6-fluoro-7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline

C15H22FN — CID 171522938

IUPAC6-fluoro-7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline
SMILESCCCN1CCc2cc(F)c(C(C)C)cc2C1
InChIInChI=1S/C15H22FN/c1-4-6-17-7-5-12-9-15(16)14(11(2)3)8-13(12)10-17/h8-9,11H,4-7,10H2,1-3H3
InChIKeyCSAADPSUIMQMNY-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.72
Rot. Bonds3

About 6-fluoro-7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline

6-fluoro-7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline (PubChem CID 171522938) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 6-fluoro-7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-fluoro-7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline
PubChem CID171522938
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name6-fluoro-7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline
SMILESCCCN1CCc2cc(F)c(C(C)C)cc2C1
InChIInChI=1S/C15H22FN/c1-4-6-17-7-5-12-9-15(16)14(11(2)3)8-13(12)10-17/h8-9,11H,4-7,10H2,1-3H3
InChIKeyCSAADPSUIMQMNY-UHFFFAOYSA-N
XLogP3.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-fluoro-7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline (CID 171522938) is 6-fluoro-7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-fluoro-7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-fluoro-7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline is CCCN1CCc2cc(F)c(C(C)C)cc2C1.
What is the InChIKey of 6-fluoro-7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is CSAADPSUIMQMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-4-6-17-7-5-12-9-15(16)14(11(2)3)8-13(12)10-17/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 6-fluoro-7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline?
6-fluoro-7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 235.35 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 171522938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).