3-methyl-5-propan-2-yloxyisoquinolin-8-amine

C13H16N2O — CID 102713795

IUPAC3-methyl-5-propan-2-yloxyisoquinolin-8-amine
SMILESCc1cc2c(OC(C)C)ccc(N)c2cn1
InChIInChI=1S/C13H16N2O/c1-8(2)16-13-5-4-12(14)11-7-15-9(3)6-10(11)13/h4-8H,14H2,1-3H3
InChIKeyKMRCANOCQVYWRQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.91
Rot. Bonds2

About 3-methyl-5-propan-2-yloxyisoquinolin-8-amine

3-methyl-5-propan-2-yloxyisoquinolin-8-amine (PubChem CID 102713795) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yloxyisoquinolin-8-amine.

Molecular Properties

Compound Name3-methyl-5-propan-2-yloxyisoquinolin-8-amine
PubChem CID102713795
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-methyl-5-propan-2-yloxyisoquinolin-8-amine
SMILESCc1cc2c(OC(C)C)ccc(N)c2cn1
InChIInChI=1S/C13H16N2O/c1-8(2)16-13-5-4-12(14)11-7-15-9(3)6-10(11)13/h4-8H,14H2,1-3H3
InChIKeyKMRCANOCQVYWRQ-UHFFFAOYSA-N
XLogP2.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine
CID 103486457
5-(4-bromo-3-methylphenoxy)-3-methylisoquinolin-8-amine
CID 102713897
5-cycloheptyloxy-3-methylisoquinolin-8-amine
CID 102713835
5-(4,4-dimethylcyclohexyl)oxy-3-methylisoquinolin-8-amine
CID 102713907
5-(4-ethylphenoxy)-3-methylisoquinolin-8-amine
CID 102713763
5-(4-bromo-2-fluorophenoxy)-3-methylisoquinolin-8-amine
CID 102713808
5-(2-butoxyethoxy)-3-methylisoquinolin-8-amine
CID 102713811
3-methyl-5-(2-methylcyclohexyl)oxyisoquinolin-8-amine
CID 102713792
3-methyl-5-(2-methylbutylsulfanyl)isoquinolin-8-amine
CID 107748011
5-propan-2-yloxyquinolin-8-amine
CID 43449641
3-methyl-5-(oxan-2-ylmethoxy)isoquinolin-8-amine
CID 102713794
5-N-(2-cyclopropylpropyl)-3-methylisoquinoline-5,8-diamine
CID 102713629

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yloxyisoquinolin-8-amine?
The IUPAC name of 3-methyl-5-propan-2-yloxyisoquinolin-8-amine (CID 102713795) is 3-methyl-5-propan-2-yloxyisoquinolin-8-amine.
What is the SMILES notation for 3-methyl-5-propan-2-yloxyisoquinolin-8-amine?
The canonical SMILES for 3-methyl-5-propan-2-yloxyisoquinolin-8-amine is Cc1cc2c(OC(C)C)ccc(N)c2cn1.
What is the InChIKey of 3-methyl-5-propan-2-yloxyisoquinolin-8-amine?
The InChIKey is KMRCANOCQVYWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8(2)16-13-5-4-12(14)11-7-15-9(3)6-10(11)13/h4-8H,14H2,1-3H3.
What are the key properties of 3-methyl-5-propan-2-yloxyisoquinolin-8-amine?
3-methyl-5-propan-2-yloxyisoquinolin-8-amine has a molecular weight of 216.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yloxyisoquinolin-8-amine is sourced from PubChem (CID 102713795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).