(2-methoxy-5,6,7,8-tetrahydroquinolin-8-yl)methanamine

C11H16N2O — CID 165402589

IUPAC(2-methoxy-5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESCOc1ccc2c(n1)C(CN)CCC2
InChIInChI=1S/C11H16N2O/c1-14-10-6-5-8-3-2-4-9(7-12)11(8)13-10/h5-6,9H,2-4,7,12H2,1H3
InChIKeyQOFARMCLFQAKJI-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.47
Rot. Bonds2

About (2-methoxy-5,6,7,8-tetrahydroquinolin-8-yl)methanamine

(2-methoxy-5,6,7,8-tetrahydroquinolin-8-yl)methanamine (PubChem CID 165402589) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (2-methoxy-5,6,7,8-tetrahydroquinolin-8-yl)methanamine.

Molecular Properties

Compound Name(2-methoxy-5,6,7,8-tetrahydroquinolin-8-yl)methanamine
PubChem CID165402589
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(2-methoxy-5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESCOc1ccc2c(n1)C(CN)CCC2
InChIInChI=1S/C11H16N2O/c1-14-10-6-5-8-3-2-4-9(7-12)11(8)13-10/h5-6,9H,2-4,7,12H2,1H3
InChIKeyQOFARMCLFQAKJI-UHFFFAOYSA-N
XLogP1.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The IUPAC name of (2-methoxy-5,6,7,8-tetrahydroquinolin-8-yl)methanamine (CID 165402589) is (2-methoxy-5,6,7,8-tetrahydroquinolin-8-yl)methanamine.
What is the SMILES notation for (2-methoxy-5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The canonical SMILES for (2-methoxy-5,6,7,8-tetrahydroquinolin-8-yl)methanamine is COc1ccc2c(n1)C(CN)CCC2.
What is the InChIKey of (2-methoxy-5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The InChIKey is QOFARMCLFQAKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-14-10-6-5-8-3-2-4-9(7-12)11(8)13-10/h5-6,9H,2-4,7,12H2,1H3.
What are the key properties of (2-methoxy-5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
(2-methoxy-5,6,7,8-tetrahydroquinolin-8-yl)methanamine has a molecular weight of 192.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5,6,7,8-tetrahydroquinolin-8-yl)methanamine is sourced from PubChem (CID 165402589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).