(2,5-dimethylfuran-3-yl)-isoquinolin-4-ylmethanamine

C16H16N2O — CID 115856253

IUPAC(2,5-dimethylfuran-3-yl)-isoquinolin-4-ylmethanamine
SMILESCc1cc(C(N)c2cncc3ccccc23)c(C)o1
InChIInChI=1S/C16H16N2O/c1-10-7-14(11(2)19-10)16(17)15-9-18-8-12-5-3-4-6-13(12)15/h3-9,16H,17H2,1-2H3
InChIKeyUKEQOOATSURXAP-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.49
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-isoquinolin-4-ylmethanamine

(2,5-dimethylfuran-3-yl)-isoquinolin-4-ylmethanamine (PubChem CID 115856253) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-isoquinolin-4-ylmethanamine.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-isoquinolin-4-ylmethanamine
PubChem CID115856253
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(2,5-dimethylfuran-3-yl)-isoquinolin-4-ylmethanamine
SMILESCc1cc(C(N)c2cncc3ccccc23)c(C)o1
InChIInChI=1S/C16H16N2O/c1-10-7-14(11(2)19-10)16(17)15-9-18-8-12-5-3-4-6-13(12)15/h3-9,16H,17H2,1-2H3
InChIKeyUKEQOOATSURXAP-UHFFFAOYSA-N
XLogP3.49
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinolin-4-yl-(2-methyl-4-pyridinyl)methanamine
CID 106755324
(5-ethylfuran-2-yl)-isoquinolin-4-ylmethanamine
CID 115856186
isoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105147400
(3-ethylthiophen-2-yl)-isoquinolin-4-ylmethanamine
CID 115856155
(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477083
2-ethyl-1-isoquinolin-4-ylbutan-1-amine
CID 115856307
methyl 3-amino-3-isoquinolin-4-ylpropanoate
CID 104504325
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
(2S)-2-amino-2-isoquinolin-4-ylethanol
CID 55262875
2-isoquinolin-4-ylpropan-1-amine
CID 81020930
1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine
CID 63940367
(2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326667

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-isoquinolin-4-ylmethanamine?
The IUPAC name of (2,5-dimethylfuran-3-yl)-isoquinolin-4-ylmethanamine (CID 115856253) is (2,5-dimethylfuran-3-yl)-isoquinolin-4-ylmethanamine.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-isoquinolin-4-ylmethanamine?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-isoquinolin-4-ylmethanamine is Cc1cc(C(N)c2cncc3ccccc23)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-isoquinolin-4-ylmethanamine?
The InChIKey is UKEQOOATSURXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-10-7-14(11(2)19-10)16(17)15-9-18-8-12-5-3-4-6-13(12)15/h3-9,16H,17H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-isoquinolin-4-ylmethanamine?
(2,5-dimethylfuran-3-yl)-isoquinolin-4-ylmethanamine has a molecular weight of 252.32 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-isoquinolin-4-ylmethanamine is sourced from PubChem (CID 115856253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).