2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine

C17H18N2O — CID 78942785

IUPAC2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine
SMILESCc1cc(CNCCc2ccco2)c2ccccc2n1
InChIInChI=1S/C17H18N2O/c1-13-11-14(16-6-2-3-7-17(16)19-13)12-18-9-8-15-5-4-10-20-15/h2-7,10-11,18H,8-9,12H2,1H3
InChIKeyZUQYYLZRBWUXCE-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.47
Rot. Bonds5

About 2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine

2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine (PubChem CID 78942785) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine
PubChem CID78942785
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine
SMILESCc1cc(CNCCc2ccco2)c2ccccc2n1
InChIInChI=1S/C17H18N2O/c1-13-11-14(16-6-2-3-7-17(16)19-13)12-18-9-8-15-5-4-10-20-15/h2-7,10-11,18H,8-9,12H2,1H3
InChIKeyZUQYYLZRBWUXCE-UHFFFAOYSA-N
XLogP3.47
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.47
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

N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
1-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943029
N-[4-(furan-2-yl)butan-2-yl]-2-methylquinolin-4-amine
CID 60716310
2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine
CID 79033204
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine
CID 78943321
N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
CID 78943020
4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine
CID 80803693
ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate
CID 79235448
1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978650
N-[(3-methyloxetan-3-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 78957492
N-[(4-methyl-3-pyridinyl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 114954791
2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66416789

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine?
The IUPAC name of 2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine (CID 78942785) is 2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine is Cc1cc(CNCCc2ccco2)c2ccccc2n1.
What is the InChIKey of 2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine?
The InChIKey is ZUQYYLZRBWUXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-11-14(16-6-2-3-7-17(16)19-13)12-18-9-8-15-5-4-10-20-15/h2-7,10-11,18H,8-9,12H2,1H3.
What are the key properties of 2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine?
2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine has a molecular weight of 266.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine is sourced from PubChem (CID 78942785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).