(1-ethoxyisoquinolin-3-yl)methanamine

C12H14N2O — CID 62290468

IUPAC(1-ethoxyisoquinolin-3-yl)methanamine
SMILESCCOc1nc(CN)cc2ccccc12
InChIInChI=1S/C12H14N2O/c1-2-15-12-11-6-4-3-5-9(11)7-10(8-13)14-12/h3-7H,2,8,13H2,1H3
InChIKeyLHFAJPBCPHPEQC-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.09
Rot. Bonds3

About (1-ethoxyisoquinolin-3-yl)methanamine

(1-ethoxyisoquinolin-3-yl)methanamine (PubChem CID 62290468) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (1-ethoxyisoquinolin-3-yl)methanamine.

Molecular Properties

Compound Name(1-ethoxyisoquinolin-3-yl)methanamine
PubChem CID62290468
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(1-ethoxyisoquinolin-3-yl)methanamine
SMILESCCOc1nc(CN)cc2ccccc12
InChIInChI=1S/C12H14N2O/c1-2-15-12-11-6-4-3-5-9(11)7-10(8-13)14-12/h3-7H,2,8,13H2,1H3
InChIKeyLHFAJPBCPHPEQC-UHFFFAOYSA-N
XLogP2.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxyisoquinolin-3-yl)methanamine?
The IUPAC name of (1-ethoxyisoquinolin-3-yl)methanamine (CID 62290468) is (1-ethoxyisoquinolin-3-yl)methanamine.
What is the SMILES notation for (1-ethoxyisoquinolin-3-yl)methanamine?
The canonical SMILES for (1-ethoxyisoquinolin-3-yl)methanamine is CCOc1nc(CN)cc2ccccc12.
What is the InChIKey of (1-ethoxyisoquinolin-3-yl)methanamine?
The InChIKey is LHFAJPBCPHPEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-15-12-11-6-4-3-5-9(11)7-10(8-13)14-12/h3-7H,2,8,13H2,1H3.
What are the key properties of (1-ethoxyisoquinolin-3-yl)methanamine?
(1-ethoxyisoquinolin-3-yl)methanamine has a molecular weight of 202.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxyisoquinolin-3-yl)methanamine is sourced from PubChem (CID 62290468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).