6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline

C11H14ClN — CID 58157144

IUPAC6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline
SMILESCCN1CCc2cc(Cl)ccc2C1
InChIInChI=1S/C11H14ClN/c1-2-13-6-5-9-7-11(12)4-3-10(9)8-13/h3-4,7H,2,5-6,8H2,1H3
InChIKeyJQRFIOGFPSRTDJ-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.72
Rot. Bonds1

About 6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline

6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 58157144) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline
PubChem CID58157144
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline
SMILESCCN1CCc2cc(Cl)ccc2C1
InChIInChI=1S/C11H14ClN/c1-2-13-6-5-9-7-11(12)4-3-10(9)8-13/h3-4,7H,2,5-6,8H2,1H3
InChIKeyJQRFIOGFPSRTDJ-UHFFFAOYSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline (CID 58157144) is 6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline is CCN1CCc2cc(Cl)ccc2C1.
What is the InChIKey of 6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is JQRFIOGFPSRTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-2-13-6-5-9-7-11(12)4-3-10(9)8-13/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of 6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline?
6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 195.69 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 58157144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).