2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine

C15H18N2O — CID 116721851

IUPAC2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine
SMILESCOC(C1CC1)C(N)c1cccc2cnccc12
InChIInChI=1S/C15H18N2O/c1-18-15(10-5-6-10)14(16)13-4-2-3-11-9-17-8-7-12(11)13/h2-4,7-10,14-15H,5-6,16H2,1H3
InChIKeyPLIMFXMVJMVTDT-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.66
Rot. Bonds4

About 2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine

2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine (PubChem CID 116721851) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine
PubChem CID116721851
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine
SMILESCOC(C1CC1)C(N)c1cccc2cnccc12
InChIInChI=1S/C15H18N2O/c1-18-15(10-5-6-10)14(16)13-4-2-3-11-9-17-8-7-12(11)13/h2-4,7-10,14-15H,5-6,16H2,1H3
InChIKeyPLIMFXMVJMVTDT-UHFFFAOYSA-N
XLogP2.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-5-yl-2-methoxypropan-1-amine
CID 79617511
isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine
CID 65425147
1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 65415186
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
(1-isoquinolin-5-yl-2-methoxypropyl)hydrazine
CID 105247037
isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine
CID 115853236
2-ethoxy-1-isoquinolin-5-yl-3,3-dimethylbutan-1-amine
CID 116725171
[(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105233617
isoquinolin-5-yl-(3-methoxyphenyl)methanamine
CID 62813526
2-cyclopropyl-1-naphthalen-1-ylpropan-1-amine
CID 83153913
[isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine
CID 105191223

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine?
The IUPAC name of 2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine (CID 116721851) is 2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine.
What is the SMILES notation for 2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine?
The canonical SMILES for 2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine is COC(C1CC1)C(N)c1cccc2cnccc12.
What is the InChIKey of 2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine?
The InChIKey is PLIMFXMVJMVTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-15(10-5-6-10)14(16)13-4-2-3-11-9-17-8-7-12(11)13/h2-4,7-10,14-15H,5-6,16H2,1H3.
What are the key properties of 2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine?
2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine has a molecular weight of 242.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine is sourced from PubChem (CID 116721851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).