6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

C12H17N — CID 21354845

IUPAC6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)c1ccc2c(c1)CCNC2
InChIInChI=1S/C12H17N/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeySSWUUFFQRQRUNJ-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.46
Rot. Bonds1

About 6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 21354845) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID21354845
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)c1ccc2c(c1)CCNC2
InChIInChI=1S/C12H17N/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeySSWUUFFQRQRUNJ-UHFFFAOYSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 21354845) is 6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is CC(C)c1ccc2c(c1)CCNC2.
What is the InChIKey of 6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is SSWUUFFQRQRUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10/h3-4,7,9,13H,5-6,8H2,1-2H3.
What are the key properties of 6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 175.27 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 21354845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).