(3R)-3-ethyl-2-iodo-3,4-dihydro-1H-isoquinoline

C11H14IN — CID 126732375

IUPAC(3R)-3-ethyl-2-iodo-3,4-dihydro-1H-isoquinoline
SMILESCC[C@@H]1Cc2ccccc2CN1I
InChIInChI=1S/C11H14IN/c1-2-11-7-9-5-3-4-6-10(9)8-13(11)12/h3-6,11H,2,7-8H2,1H3/t11-/m1/s1
InChIKeyQFICNLULRKSZGJ-LLVKDONJSA-N
MW287.14 g/mol
LogP3.17
Rot. Bonds1

About (3R)-3-ethyl-2-iodo-3,4-dihydro-1H-isoquinoline

(3R)-3-ethyl-2-iodo-3,4-dihydro-1H-isoquinoline (PubChem CID 126732375) has the molecular formula C11H14IN and a molecular weight of 287.14 g/mol. Its IUPAC name is (3R)-3-ethyl-2-iodo-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(3R)-3-ethyl-2-iodo-3,4-dihydro-1H-isoquinoline
PubChem CID126732375
Molecular FormulaC11H14IN
Molecular Weight287.14 g/mol
Exact Mass287.02
IUPAC Name(3R)-3-ethyl-2-iodo-3,4-dihydro-1H-isoquinoline
SMILESCC[C@@H]1Cc2ccccc2CN1I
InChIInChI=1S/C11H14IN/c1-2-11-7-9-5-3-4-6-10(9)8-13(11)12/h3-6,11H,2,7-8H2,1H3/t11-/m1/s1
InChIKeyQFICNLULRKSZGJ-LLVKDONJSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze (3R)-3-ethyl-2-iodo-3,4-dihydro-1H-isoquinoline with MolForge

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Launch Full Analysis

Related Compounds

3-ethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 22891660
ethane;(3R)-3-ethyl-2-methyl-3,4-dihydro-1H-isoquinoline;propane
CID 144927592
(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanethiol
CID 20699474
[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methanol;molecular hydrogen
CID 177039068
(3R)-2-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 140914018
(3S)-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 90146748
3-ethyl-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline
CID 23344298
2-ethyl-1-piperidin-1-yl-2,3-dihydroindole
CID 70589766
1-[2-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine
CID 55065813
1-[2-[(4-iodophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine
CID 65478020
(3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-amine
CID 131978198
3-ethyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 89150261

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-2-iodo-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (3R)-3-ethyl-2-iodo-3,4-dihydro-1H-isoquinoline (CID 126732375) is (3R)-3-ethyl-2-iodo-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (3R)-3-ethyl-2-iodo-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (3R)-3-ethyl-2-iodo-3,4-dihydro-1H-isoquinoline is CC[C@@H]1Cc2ccccc2CN1I.
What is the InChIKey of (3R)-3-ethyl-2-iodo-3,4-dihydro-1H-isoquinoline?
The InChIKey is QFICNLULRKSZGJ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14IN/c1-2-11-7-9-5-3-4-6-10(9)8-13(11)12/h3-6,11H,2,7-8H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-3-ethyl-2-iodo-3,4-dihydro-1H-isoquinoline?
(3R)-3-ethyl-2-iodo-3,4-dihydro-1H-isoquinoline has a molecular weight of 287.14 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-2-iodo-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 126732375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).