8-chloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline

C12H14ClN — CID 83358632

IUPAC8-chloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline
SMILESClc1cccc2c1C(C1CC1)NCC2
InChIInChI=1S/C12H14ClN/c13-10-3-1-2-8-6-7-14-12(11(8)10)9-4-5-9/h1-3,9,12,14H,4-7H2
InChIKeyCUUAUEXKPRANSA-UHFFFAOYSA-N
MW207.70 g/mol
LogP2.94
Rot. Bonds1

About 8-chloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline

8-chloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83358632) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 8-chloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-chloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID83358632
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name8-chloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline
SMILESClc1cccc2c1C(C1CC1)NCC2
InChIInChI=1S/C12H14ClN/c13-10-3-1-2-8-6-7-14-12(11(8)10)9-4-5-9/h1-3,9,12,14H,4-7H2
InChIKeyCUUAUEXKPRANSA-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-chloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline (CID 83358632) is 8-chloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-chloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-chloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline is Clc1cccc2c1C(C1CC1)NCC2.
What is the InChIKey of 8-chloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is CUUAUEXKPRANSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c13-10-3-1-2-8-6-7-14-12(11(8)10)9-4-5-9/h1-3,9,12,14H,4-7H2.
What are the key properties of 8-chloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline?
8-chloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 207.70 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83358632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).