2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine

C15H17N3O — CID 106504531

IUPAC2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCOc1ccc(N2CCc3cccc(N)c3C2)nc1
InChIInChI=1S/C15H17N3O/c1-19-12-5-6-15(17-9-12)18-8-7-11-3-2-4-14(16)13(11)10-18/h2-6,9H,7-8,10,16H2,1H3
InChIKeyHAFVRZYRSCTICV-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.24
Rot. Bonds2

About 2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine

2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 106504531) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID106504531
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCOc1ccc(N2CCc3cccc(N)c3C2)nc1
InChIInChI=1S/C15H17N3O/c1-19-12-5-6-15(17-9-12)18-8-7-11-3-2-4-14(16)13(11)10-18/h2-6,9H,7-8,10,16H2,1H3
InChIKeyHAFVRZYRSCTICV-UHFFFAOYSA-N
XLogP2.24
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524429
2-(6-propan-2-yloxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524403
2-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524501
N-[1-(5-methoxy-2-pyridinyl)piperidin-4-ylidene]hydroxylamine
CID 106503919
4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile
CID 114524411
2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524399
2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524293
2-(4-methylsulfonylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524488
2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524548
2-[3-(5-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinoline
CID 134808706
2-(5-nitro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 102771509
2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581674

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine (CID 106504531) is 2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine is COc1ccc(N2CCc3cccc(N)c3C2)nc1.
What is the InChIKey of 2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is HAFVRZYRSCTICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-19-12-5-6-15(17-9-12)18-8-7-11-3-2-4-14(16)13(11)10-18/h2-6,9H,7-8,10,16H2,1H3.
What are the key properties of 2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine?
2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 255.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 106504531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).