(5-ethylfuran-2-yl)-isoquinolin-4-ylmethanamine

C16H16N2O — CID 115856186

IUPAC(5-ethylfuran-2-yl)-isoquinolin-4-ylmethanamine
SMILESCCc1ccc(C(N)c2cncc3ccccc23)o1
InChIInChI=1S/C16H16N2O/c1-2-12-7-8-15(19-12)16(17)14-10-18-9-11-5-3-4-6-13(11)14/h3-10,16H,2,17H2,1H3
InChIKeyWNDXUZKQRKLSGQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.44
Rot. Bonds3

About (5-ethylfuran-2-yl)-isoquinolin-4-ylmethanamine

(5-ethylfuran-2-yl)-isoquinolin-4-ylmethanamine (PubChem CID 115856186) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)-isoquinolin-4-ylmethanamine.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)-isoquinolin-4-ylmethanamine
PubChem CID115856186
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(5-ethylfuran-2-yl)-isoquinolin-4-ylmethanamine
SMILESCCc1ccc(C(N)c2cncc3ccccc23)o1
InChIInChI=1S/C16H16N2O/c1-2-12-7-8-15(19-12)16(17)14-10-18-9-11-5-3-4-6-13(11)14/h3-10,16H,2,17H2,1H3
InChIKeyWNDXUZKQRKLSGQ-UHFFFAOYSA-N
XLogP3.44
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethylfuran-2-yl)-naphthalen-1-ylmethanamine
CID 62345330
(2,5-dimethylfuran-3-yl)-isoquinolin-4-ylmethanamine
CID 115856253
(4-ethylthiadiazol-5-yl)-isoquinolin-4-ylmethanamine
CID 105147328
(3-ethylthiophen-2-yl)-isoquinolin-4-ylmethanamine
CID 115856155
2-ethyl-1-isoquinolin-4-ylbutan-1-amine
CID 115856307
2-ethylsulfanyl-1-isoquinolin-4-ylethanamine
CID 65128258
(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
1-isoquinolin-4-ylnonan-1-amine
CID 115856304
(5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 105043201
isoquinolin-4-yl-(2-methyl-4-pyridinyl)methanamine
CID 106755324

Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)-isoquinolin-4-ylmethanamine?
The IUPAC name of (5-ethylfuran-2-yl)-isoquinolin-4-ylmethanamine (CID 115856186) is (5-ethylfuran-2-yl)-isoquinolin-4-ylmethanamine.
What is the SMILES notation for (5-ethylfuran-2-yl)-isoquinolin-4-ylmethanamine?
The canonical SMILES for (5-ethylfuran-2-yl)-isoquinolin-4-ylmethanamine is CCc1ccc(C(N)c2cncc3ccccc23)o1.
What is the InChIKey of (5-ethylfuran-2-yl)-isoquinolin-4-ylmethanamine?
The InChIKey is WNDXUZKQRKLSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-12-7-8-15(19-12)16(17)14-10-18-9-11-5-3-4-6-13(11)14/h3-10,16H,2,17H2,1H3.
What are the key properties of (5-ethylfuran-2-yl)-isoquinolin-4-ylmethanamine?
(5-ethylfuran-2-yl)-isoquinolin-4-ylmethanamine has a molecular weight of 252.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)-isoquinolin-4-ylmethanamine is sourced from PubChem (CID 115856186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).