5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine

C13H18N2O — CID 167201747

IUPAC5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCN1CCc2c(cc(N)cc2OC2CC2)C1
InChIInChI=1S/C13H18N2O/c1-15-5-4-12-9(8-15)6-10(14)7-13(12)16-11-2-3-11/h6-7,11H,2-5,8,14H2,1H3
InChIKeyGAXXWYVOHFATLV-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.80
Rot. Bonds2

About 5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine

5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 167201747) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID167201747
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCN1CCc2c(cc(N)cc2OC2CC2)C1
InChIInChI=1S/C13H18N2O/c1-15-5-4-12-9(8-15)6-10(14)7-13(12)16-11-2-3-11/h6-7,11H,2-5,8,14H2,1H3
InChIKeyGAXXWYVOHFATLV-UHFFFAOYSA-N
XLogP1.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine (CID 167201747) is 5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine is CN1CCc2c(cc(N)cc2OC2CC2)C1.
What is the InChIKey of 5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is GAXXWYVOHFATLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-5-4-12-9(8-15)6-10(14)7-13(12)16-11-2-3-11/h6-7,11H,2-5,8,14H2,1H3.
What are the key properties of 5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 218.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 167201747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).