1-(2-methylquinolin-6-yl)-2-propoxyethanamine

C15H20N2O — CID 81231742

IUPAC1-(2-methylquinolin-6-yl)-2-propoxyethanamine
SMILESCCCOCC(N)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C15H20N2O/c1-3-8-18-10-14(16)12-6-7-15-13(9-12)5-4-11(2)17-15/h4-7,9,14H,3,8,10,16H2,1-2H3
InChIKeyHTHVYDUXMQNZDI-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.97
Rot. Bonds5

About 1-(2-methylquinolin-6-yl)-2-propoxyethanamine

1-(2-methylquinolin-6-yl)-2-propoxyethanamine (PubChem CID 81231742) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(2-methylquinolin-6-yl)-2-propoxyethanamine.

Molecular Properties

Compound Name1-(2-methylquinolin-6-yl)-2-propoxyethanamine
PubChem CID81231742
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(2-methylquinolin-6-yl)-2-propoxyethanamine
SMILESCCCOCC(N)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C15H20N2O/c1-3-8-18-10-14(16)12-6-7-15-13(9-12)5-4-11(2)17-15/h4-7,9,14H,3,8,10,16H2,1-2H3
InChIKeyHTHVYDUXMQNZDI-UHFFFAOYSA-N
XLogP2.97
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine
CID 105172287
1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine
CID 81231833
1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147995
2-propoxy-1-quinoxalin-6-ylethanamine
CID 79575217
3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
CID 81231464
3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine
CID 79016384
1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine
CID 81231835
1-(2-methylquinolin-6-yl)-2-pyridin-4-ylethanamine
CID 81231601
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711
2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol
CID 81215900
[4-ethoxy-1-(2-methylquinolin-6-yl)butyl]hydrazine
CID 105327215
N-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine
CID 105378829

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-6-yl)-2-propoxyethanamine?
The IUPAC name of 1-(2-methylquinolin-6-yl)-2-propoxyethanamine (CID 81231742) is 1-(2-methylquinolin-6-yl)-2-propoxyethanamine.
What is the SMILES notation for 1-(2-methylquinolin-6-yl)-2-propoxyethanamine?
The canonical SMILES for 1-(2-methylquinolin-6-yl)-2-propoxyethanamine is CCCOCC(N)c1ccc2nc(C)ccc2c1.
What is the InChIKey of 1-(2-methylquinolin-6-yl)-2-propoxyethanamine?
The InChIKey is HTHVYDUXMQNZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-8-18-10-14(16)12-6-7-15-13(9-12)5-4-11(2)17-15/h4-7,9,14H,3,8,10,16H2,1-2H3.
What are the key properties of 1-(2-methylquinolin-6-yl)-2-propoxyethanamine?
1-(2-methylquinolin-6-yl)-2-propoxyethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-6-yl)-2-propoxyethanamine is sourced from PubChem (CID 81231742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).