8-N-ethyl-8-N-(2-fluorophenyl)isoquinoline-5,8-diamine

C17H16FN3 — CID 103138033

IUPAC8-N-ethyl-8-N-(2-fluorophenyl)isoquinoline-5,8-diamine
SMILESCCN(c1ccccc1F)c1ccc(N)c2ccncc12
InChIInChI=1S/C17H16FN3/c1-2-21(17-6-4-3-5-14(17)18)16-8-7-15(19)12-9-10-20-11-13(12)16/h3-11H,2,19H2,1H3
InChIKeyWXMUSFJTQUNRFS-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.11
Rot. Bonds3

About 8-N-ethyl-8-N-(2-fluorophenyl)isoquinoline-5,8-diamine

8-N-ethyl-8-N-(2-fluorophenyl)isoquinoline-5,8-diamine (PubChem CID 103138033) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 8-N-ethyl-8-N-(2-fluorophenyl)isoquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-ethyl-8-N-(2-fluorophenyl)isoquinoline-5,8-diamine
PubChem CID103138033
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name8-N-ethyl-8-N-(2-fluorophenyl)isoquinoline-5,8-diamine
SMILESCCN(c1ccccc1F)c1ccc(N)c2ccncc12
InChIInChI=1S/C17H16FN3/c1-2-21(17-6-4-3-5-14(17)18)16-8-7-15(19)12-9-10-20-11-13(12)16/h3-11H,2,19H2,1H3
InChIKeyWXMUSFJTQUNRFS-UHFFFAOYSA-N
XLogP4.11
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-N-ethyl-5-N-(2-methylphenyl)isoquinoline-5,8-diamine
CID 43448667
8-N-(2,2-difluoroethyl)-8-N-methylisoquinoline-5,8-diamine
CID 103139247
1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine
CID 103590266
3-amino-N-ethyl-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 105069177
2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine
CID 79176696
2-(aminomethyl)-N-ethyl-N-(2-fluorophenyl)aniline
CID 55125489
3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine
CID 104834416
2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N-ethylacetamide
CID 103137754
1-N-ethyl-2-fluoro-1-N-naphthalen-1-ylbenzene-1,4-diamine
CID 28972599
8-ethylisoquinolin-5-amine
CID 58807103
isoquinoline-5,8-diamine;hydrochloride
CID 75525603
5-amino-6-(N-ethyl-2-fluoroanilino)pyridine-2-carboxamide
CID 114406299

Frequently Asked Questions

What is the IUPAC name of 8-N-ethyl-8-N-(2-fluorophenyl)isoquinoline-5,8-diamine?
The IUPAC name of 8-N-ethyl-8-N-(2-fluorophenyl)isoquinoline-5,8-diamine (CID 103138033) is 8-N-ethyl-8-N-(2-fluorophenyl)isoquinoline-5,8-diamine.
What is the SMILES notation for 8-N-ethyl-8-N-(2-fluorophenyl)isoquinoline-5,8-diamine?
The canonical SMILES for 8-N-ethyl-8-N-(2-fluorophenyl)isoquinoline-5,8-diamine is CCN(c1ccccc1F)c1ccc(N)c2ccncc12.
What is the InChIKey of 8-N-ethyl-8-N-(2-fluorophenyl)isoquinoline-5,8-diamine?
The InChIKey is WXMUSFJTQUNRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-2-21(17-6-4-3-5-14(17)18)16-8-7-15(19)12-9-10-20-11-13(12)16/h3-11H,2,19H2,1H3.
What are the key properties of 8-N-ethyl-8-N-(2-fluorophenyl)isoquinoline-5,8-diamine?
8-N-ethyl-8-N-(2-fluorophenyl)isoquinoline-5,8-diamine has a molecular weight of 281.33 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-ethyl-8-N-(2-fluorophenyl)isoquinoline-5,8-diamine is sourced from PubChem (CID 103138033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).