7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

C13H18FN — CID 62375099

IUPAC7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)CC1NCCc2ccc(F)cc21
InChIInChI=1S/C13H18FN/c1-9(2)7-13-12-8-11(14)4-3-10(12)5-6-15-13/h3-4,8-9,13,15H,5-7H2,1-2H3
InChIKeyNTXDXAQNOGAKEH-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.06
Rot. Bonds2

About 7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 62375099) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID62375099
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)CC1NCCc2ccc(F)cc21
InChIInChI=1S/C13H18FN/c1-9(2)7-13-12-8-11(14)4-3-10(12)5-6-15-13/h3-4,8-9,13,15H,5-7H2,1-2H3
InChIKeyNTXDXAQNOGAKEH-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (CID 62375099) is 7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is CC(C)CC1NCCc2ccc(F)cc21.
What is the InChIKey of 7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NTXDXAQNOGAKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9(2)7-13-12-8-11(14)4-3-10(12)5-6-15-13/h3-4,8-9,13,15H,5-7H2,1-2H3.
What are the key properties of 7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 207.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 62375099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).