N-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine

C17H18N2O — CID 106888298

IUPACN-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1occc1-c1cccc2ccncc12
InChIInChI=1S/C17H18N2O/c1-12(2)19-11-17-15(7-9-20-17)14-5-3-4-13-6-8-18-10-16(13)14/h3-10,12,19H,11H2,1-2H3
InChIKeyDGBHOFGVRXYWIU-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.99
Rot. Bonds4

About N-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine

N-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine (PubChem CID 106888298) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine
PubChem CID106888298
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1occc1-c1cccc2ccncc12
InChIInChI=1S/C17H18N2O/c1-12(2)19-11-17-15(7-9-20-17)14-5-3-4-13-6-8-18-10-16(13)14/h3-10,12,19H,11H2,1-2H3
InChIKeyDGBHOFGVRXYWIU-UHFFFAOYSA-N
XLogP3.99
TPSA38.06 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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine
CID 106887993
N-[[3-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106887918
N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine
CID 106887002
N-[[3-(2-fluorophenyl)furan-2-yl]methyl]propan-2-amine
CID 106887009
(3-isoquinolin-5-ylfuran-2-yl)methanamine
CID 106887150
N-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine
CID 106888217
N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
CID 106888206
N-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine
CID 106888284
N-[[3-(3-nitrophenyl)furan-2-yl]methyl]propan-2-amine
CID 106886933
N-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine
CID 113268291
N-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106887042
1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine
CID 103135847

Frequently Asked Questions

What is the IUPAC name of N-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine (CID 106888298) is N-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine is CC(C)NCc1occc1-c1cccc2ccncc12.
What is the InChIKey of N-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine?
The InChIKey is DGBHOFGVRXYWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12(2)19-11-17-15(7-9-20-17)14-5-3-4-13-6-8-18-10-16(13)14/h3-10,12,19H,11H2,1-2H3.
What are the key properties of N-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine?
N-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine has a molecular weight of 266.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 106888298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).