3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine

C17H18N2O — CID 105172248

IUPAC3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine
SMILESCc1ccc2cc(C(N)CCc3ccco3)ccc2n1
InChIInChI=1S/C17H18N2O/c1-12-4-5-14-11-13(6-9-17(14)19-12)16(18)8-7-15-3-2-10-20-15/h2-6,9-11,16H,7-8,18H2,1H3
InChIKeyHYBBTJAMHOARLC-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.77
Rot. Bonds4

About 3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine

3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine (PubChem CID 105172248) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine
PubChem CID105172248
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine
SMILESCc1ccc2cc(C(N)CCc3ccco3)ccc2n1
InChIInChI=1S/C17H18N2O/c1-12-4-5-14-11-13(6-9-17(14)19-12)16(18)8-7-15-3-2-10-20-15/h2-6,9-11,16H,7-8,18H2,1H3
InChIKeyHYBBTJAMHOARLC-UHFFFAOYSA-N
XLogP3.77
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine
CID 105172256
(1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
CID 40511217
3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-one
CID 105121476
4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine
CID 105172287
3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine
CID 79016384
1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105092774
1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine
CID 81231835
3-(furan-2-yl)-1-(3-propylphenyl)propan-1-amine
CID 105187906
1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147995
1-(2-methylquinolin-6-yl)-2-propoxyethanamine
CID 81231742
1-(2-methylquinolin-6-yl)-2-pyridin-4-ylethanamine
CID 81231601
1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine
CID 81231833

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine?
The IUPAC name of 3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine (CID 105172248) is 3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine is Cc1ccc2cc(C(N)CCc3ccco3)ccc2n1.
What is the InChIKey of 3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine?
The InChIKey is HYBBTJAMHOARLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-4-5-14-11-13(6-9-17(14)19-12)16(18)8-7-15-3-2-10-20-15/h2-6,9-11,16H,7-8,18H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine?
3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine has a molecular weight of 266.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine is sourced from PubChem (CID 105172248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).