5,7-dichloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline

C12H13Cl2N — CID 62373756

IUPAC5,7-dichloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline
SMILESClc1cc(Cl)c2c(c1)C(C1CC1)NCC2
InChIInChI=1S/C12H13Cl2N/c13-8-5-10-9(11(14)6-8)3-4-15-12(10)7-1-2-7/h5-7,12,15H,1-4H2
InChIKeyXRORQJASKRMFET-UHFFFAOYSA-N
MW242.15 g/mol
LogP3.59
Rot. Bonds1

About 5,7-dichloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline

5,7-dichloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 62373756) has the molecular formula C12H13Cl2N and a molecular weight of 242.15 g/mol. Its IUPAC name is 5,7-dichloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5,7-dichloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID62373756
Molecular FormulaC12H13Cl2N
Molecular Weight242.15 g/mol
Exact Mass241.04
IUPAC Name5,7-dichloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline
SMILESClc1cc(Cl)c2c(c1)C(C1CC1)NCC2
InChIInChI=1S/C12H13Cl2N/c13-8-5-10-9(11(14)6-8)3-4-15-12(10)7-1-2-7/h5-7,12,15H,1-4H2
InChIKeyXRORQJASKRMFET-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5,7-dichloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline (CID 62373756) is 5,7-dichloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5,7-dichloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5,7-dichloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline is Clc1cc(Cl)c2c(c1)C(C1CC1)NCC2.
What is the InChIKey of 5,7-dichloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is XRORQJASKRMFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N/c13-8-5-10-9(11(14)6-8)3-4-15-12(10)7-1-2-7/h5-7,12,15H,1-4H2.
What are the key properties of 5,7-dichloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline?
5,7-dichloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 242.15 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 62373756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).