2-methoxy-N-(quinolin-4-ylmethyl)ethanamine

C13H16N2O — CID 62543983

IUPAC2-methoxy-N-(quinolin-4-ylmethyl)ethanamine
SMILESCOCCNCc1ccnc2ccccc12
InChIInChI=1S/C13H16N2O/c1-16-9-8-14-10-11-6-7-15-13-5-3-2-4-12(11)13/h2-7,14H,8-10H2,1H3
InChIKeyXGAWNHNKFBGNRA-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.97
Rot. Bonds5

About 2-methoxy-N-(quinolin-4-ylmethyl)ethanamine

2-methoxy-N-(quinolin-4-ylmethyl)ethanamine (PubChem CID 62543983) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-methoxy-N-(quinolin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(quinolin-4-ylmethyl)ethanamine
PubChem CID62543983
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-methoxy-N-(quinolin-4-ylmethyl)ethanamine
SMILESCOCCNCc1ccnc2ccccc12
InChIInChI=1S/C13H16N2O/c1-16-9-8-14-10-11-6-7-15-13-5-3-2-4-12(11)13/h2-7,14H,8-10H2,1H3
InChIKeyXGAWNHNKFBGNRA-UHFFFAOYSA-N
XLogP1.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.97
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

2-methoxy-N-(quinolin-5-ylmethyl)ethanamine
CID 62543986
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
N-(2-methoxyethyl)-4-methyl-5-quinolin-4-ylpent-3-en-1-amine
CID 79609369
methyl 4-(quinolin-4-ylmethylamino)butanoate
CID 63867501
N-methoxy-1-quinolin-4-ylmethanamine
CID 79235633
3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine
CID 114171251
1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine
CID 63850040
2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine
CID 63867946
5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine
CID 115491467
N'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine
CID 90798639
N-(quinolin-4-ylmethyl)hex-5-yn-1-amine
CID 113256049
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(quinolin-4-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-(quinolin-4-ylmethyl)ethanamine (CID 62543983) is 2-methoxy-N-(quinolin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-(quinolin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-(quinolin-4-ylmethyl)ethanamine is COCCNCc1ccnc2ccccc12.
What is the InChIKey of 2-methoxy-N-(quinolin-4-ylmethyl)ethanamine?
The InChIKey is XGAWNHNKFBGNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-16-9-8-14-10-11-6-7-15-13-5-3-2-4-12(11)13/h2-7,14H,8-10H2,1H3.
What are the key properties of 2-methoxy-N-(quinolin-4-ylmethyl)ethanamine?
2-methoxy-N-(quinolin-4-ylmethyl)ethanamine has a molecular weight of 216.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(quinolin-4-ylmethyl)ethanamine is sourced from PubChem (CID 62543983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).