N-ethyl-3-(furan-2-yl)-1-isoquinolin-8-ylpropan-1-amine

C18H20N2O — CID 103136933

IUPACN-ethyl-3-(furan-2-yl)-1-isoquinolin-8-ylpropan-1-amine
SMILESCCNC(CCc1ccco1)c1cccc2ccncc12
InChIInChI=1S/C18H20N2O/c1-2-20-18(9-8-15-6-4-12-21-15)16-7-3-5-14-10-11-19-13-17(14)16/h3-7,10-13,18,20H,2,8-9H2,1H3
InChIKeyNTXYKUMHRJXILB-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.11
Rot. Bonds6

About N-ethyl-3-(furan-2-yl)-1-isoquinolin-8-ylpropan-1-amine

N-ethyl-3-(furan-2-yl)-1-isoquinolin-8-ylpropan-1-amine (PubChem CID 103136933) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-ethyl-3-(furan-2-yl)-1-isoquinolin-8-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(furan-2-yl)-1-isoquinolin-8-ylpropan-1-amine
PubChem CID103136933
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-ethyl-3-(furan-2-yl)-1-isoquinolin-8-ylpropan-1-amine
SMILESCCNC(CCc1ccco1)c1cccc2ccncc12
InChIInChI=1S/C18H20N2O/c1-2-20-18(9-8-15-6-4-12-21-15)16-7-3-5-14-10-11-19-13-17(14)16/h3-7,10-13,18,20H,2,8-9H2,1H3
InChIKeyNTXYKUMHRJXILB-UHFFFAOYSA-N
XLogP4.11
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine
CID 105143514
1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105140541
N-ethyl-1-(2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105119317
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371
N-ethyl-3-(furan-2-yl)-1-quinolin-7-ylpropan-1-amine
CID 105172573
N-ethyl-1-isoquinolin-8-yl-2-propylpentan-1-amine
CID 103138048
2-butan-2-ylsulfanyl-N-ethyl-1-isoquinolin-8-ylethanamine
CID 103143599
2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine
CID 103136574
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine
CID 105147383
N,2-diethyl-1-isoquinolin-8-ylhexan-1-amine
CID 103136570
4,4,4-trifluoro-1-isoquinolin-8-yl-N-propylbutan-1-amine
CID 103136036

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(furan-2-yl)-1-isoquinolin-8-ylpropan-1-amine?
The IUPAC name of N-ethyl-3-(furan-2-yl)-1-isoquinolin-8-ylpropan-1-amine (CID 103136933) is N-ethyl-3-(furan-2-yl)-1-isoquinolin-8-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(furan-2-yl)-1-isoquinolin-8-ylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(furan-2-yl)-1-isoquinolin-8-ylpropan-1-amine is CCNC(CCc1ccco1)c1cccc2ccncc12.
What is the InChIKey of N-ethyl-3-(furan-2-yl)-1-isoquinolin-8-ylpropan-1-amine?
The InChIKey is NTXYKUMHRJXILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-20-18(9-8-15-6-4-12-21-15)16-7-3-5-14-10-11-19-13-17(14)16/h3-7,10-13,18,20H,2,8-9H2,1H3.
What are the key properties of N-ethyl-3-(furan-2-yl)-1-isoquinolin-8-ylpropan-1-amine?
N-ethyl-3-(furan-2-yl)-1-isoquinolin-8-ylpropan-1-amine has a molecular weight of 280.37 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(furan-2-yl)-1-isoquinolin-8-ylpropan-1-amine is sourced from PubChem (CID 103136933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).