5-N-ethyl-3-methyl-5-N-phenylisoquinoline-5,8-diamine

C18H19N3 — CID 102712896

IUPAC5-N-ethyl-3-methyl-5-N-phenylisoquinoline-5,8-diamine
SMILESCCN(c1ccccc1)c1ccc(N)c2cnc(C)cc12
InChIInChI=1S/C18H19N3/c1-3-21(14-7-5-4-6-8-14)18-10-9-17(19)16-12-20-13(2)11-15(16)18/h4-12H,3,19H2,1-2H3
InChIKeyRAMXJGIGLKRFBW-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.28
Rot. Bonds3

About 5-N-ethyl-3-methyl-5-N-phenylisoquinoline-5,8-diamine

5-N-ethyl-3-methyl-5-N-phenylisoquinoline-5,8-diamine (PubChem CID 102712896) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-N-ethyl-3-methyl-5-N-phenylisoquinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-ethyl-3-methyl-5-N-phenylisoquinoline-5,8-diamine
PubChem CID102712896
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name5-N-ethyl-3-methyl-5-N-phenylisoquinoline-5,8-diamine
SMILESCCN(c1ccccc1)c1ccc(N)c2cnc(C)cc12
InChIInChI=1S/C18H19N3/c1-3-21(14-7-5-4-6-8-14)18-10-9-17(19)16-12-20-13(2)11-15(16)18/h4-12H,3,19H2,1-2H3
InChIKeyRAMXJGIGLKRFBW-UHFFFAOYSA-N
XLogP4.28
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.28
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

2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]ethanol
CID 102713127
5-N-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)isoquinoline-5,8-diamine
CID 102713250
2-[(8-amino-3-methylisoquinolin-5-yl)-methylamino]ethanol
CID 102713026
2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N,N-dimethylacetamide
CID 102713102
2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N-methylacetamide
CID 102713092
5-N,3-dimethyl-5-N-(3-methylbutyl)isoquinoline-5,8-diamine
CID 102713155
6-N-ethyl-6-N-phenylquinoline-5,6-diamine
CID 43809497
1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine
CID 28809952
2-[(8-amino-3-methylisoquinolin-5-yl)-butylamino]acetamide
CID 102713247
5-N-ethyl-5-N-(2-methylphenyl)isoquinoline-5,8-diamine
CID 43448667
5-N-(2-ethylphenyl)-3-methylisoquinoline-5,8-diamine
CID 102713003
3-amino-4-(N-ethylanilino)benzoic acid
CID 54888270

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-3-methyl-5-N-phenylisoquinoline-5,8-diamine?
The IUPAC name of 5-N-ethyl-3-methyl-5-N-phenylisoquinoline-5,8-diamine (CID 102712896) is 5-N-ethyl-3-methyl-5-N-phenylisoquinoline-5,8-diamine.
What is the SMILES notation for 5-N-ethyl-3-methyl-5-N-phenylisoquinoline-5,8-diamine?
The canonical SMILES for 5-N-ethyl-3-methyl-5-N-phenylisoquinoline-5,8-diamine is CCN(c1ccccc1)c1ccc(N)c2cnc(C)cc12.
What is the InChIKey of 5-N-ethyl-3-methyl-5-N-phenylisoquinoline-5,8-diamine?
The InChIKey is RAMXJGIGLKRFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-3-21(14-7-5-4-6-8-14)18-10-9-17(19)16-12-20-13(2)11-15(16)18/h4-12H,3,19H2,1-2H3.
What are the key properties of 5-N-ethyl-3-methyl-5-N-phenylisoquinoline-5,8-diamine?
5-N-ethyl-3-methyl-5-N-phenylisoquinoline-5,8-diamine has a molecular weight of 277.37 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-3-methyl-5-N-phenylisoquinoline-5,8-diamine is sourced from PubChem (CID 102712896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).