5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine

C10H14N2O — CID 89009600

IUPAC5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine
SMILESCOc1cccc2c1CCN(N)C2
InChIInChI=1S/C10H14N2O/c1-13-10-4-2-3-8-7-12(11)6-5-9(8)10/h2-4H,5-7,11H2,1H3
InChIKeyFLMXGSAEXWPMQO-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.93
Rot. Bonds1

About 5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine

5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine (PubChem CID 89009600) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine.

Molecular Properties

Compound Name5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine
PubChem CID89009600
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine
SMILESCOc1cccc2c1CCN(N)C2
InChIInChI=1S/C10H14N2O/c1-13-10-4-2-3-8-7-12(11)6-5-9(8)10/h2-4H,5-7,11H2,1H3
InChIKeyFLMXGSAEXWPMQO-UHFFFAOYSA-N
XLogP0.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-1,3-dihydroisoindol-2-amine
CID 125426011
[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine
CID 145042907
2-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 75519706
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
5-methoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine;dihydrochloride
CID 19595197
(E)-1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylprop-2-en-1-one
CID 154860830
1,8-dimethoxy-9,10-dihydroanthracene
CID 12651974
5-methoxy-2-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 100626262
1-(4-methoxy-1,3-dihydroisoindol-2-yl)ethanone
CID 20754713
tert-butyl N-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]carbamate
CID 110456851
2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]ethanamine
CID 84674560
1-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexan-1-amine
CID 69095548

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine?
The IUPAC name of 5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine (CID 89009600) is 5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine.
What is the SMILES notation for 5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine?
The canonical SMILES for 5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine is COc1cccc2c1CCN(N)C2.
What is the InChIKey of 5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine?
The InChIKey is FLMXGSAEXWPMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-13-10-4-2-3-8-7-12(11)6-5-9(8)10/h2-4H,5-7,11H2,1H3.
What are the key properties of 5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine?
5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine has a molecular weight of 178.24 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine is sourced from PubChem (CID 89009600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).