3-(3,5-dimethylphenyl)-6-ethylisoquinoline

C19H19N — CID 170527343

IUPAC3-(3,5-dimethylphenyl)-6-ethylisoquinoline
SMILESCCc1ccc2cnc(-c3cc(C)cc(C)c3)cc2c1
InChIInChI=1S/C19H19N/c1-4-15-5-6-16-12-20-19(11-17(16)10-15)18-8-13(2)7-14(3)9-18/h5-12H,4H2,1-3H3
InChIKeyFFENXKFFVXAPPC-UHFFFAOYSA-N
MW261.37 g/mol
LogP5.08
Rot. Bonds2

About 3-(3,5-dimethylphenyl)-6-ethylisoquinoline

3-(3,5-dimethylphenyl)-6-ethylisoquinoline (PubChem CID 170527343) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-6-ethylisoquinoline.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-6-ethylisoquinoline
PubChem CID170527343
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name3-(3,5-dimethylphenyl)-6-ethylisoquinoline
SMILESCCc1ccc2cnc(-c3cc(C)cc(C)c3)cc2c1
InChIInChI=1S/C19H19N/c1-4-15-5-6-16-12-20-19(11-17(16)10-15)18-8-13(2)7-14(3)9-18/h5-12H,4H2,1-3H3
InChIKeyFFENXKFFVXAPPC-UHFFFAOYSA-N
XLogP5.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(cyclopentylmethyl)-3-(3,5-dimethylphenyl)isoquinoline
CID 167260804
methyl 2-[3-(6-ethylisoquinolin-3-yl)phenyl]acetate
CID 126629873
4-(3,5-dimethylphenyl)-9-ethylbenzo[f]isoquinoline
CID 158944729
5-[7-(4-ethylphenyl)naphthalen-2-yl]-2-(4-methylphenyl)pyridine
CID 170290967
3-(3,5-dimethylbenzene-6-id-1-yl)-6-ethylisoquinoline;iridium;2,2,5,5-tetraethyl-1,3,3a,4,6,6a-hexahydropentalene-1,6-diol
CID 170527619
ethane;2-ethyl-7-methylnaphthalene;methane
CID 167476321
6-(3,3-difluorocyclopentyl)-3-(3,5-dimethylphenyl)isoquinoline
CID 170221954
2-(3,5-dimethylphenyl)-4,5-dimethylpyridine
CID 129074691
2,6-bis(6-ethylnaphthalen-2-yl)anthracene
CID 59141275
5-(3,5-dimethylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
CID 155626244
4-ethyl-2-(4-methylphenyl)pyridine
CID 165358443
2-ethylnaphthalene;3-methylquinoline
CID 143066870

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-6-ethylisoquinoline?
The IUPAC name of 3-(3,5-dimethylphenyl)-6-ethylisoquinoline (CID 170527343) is 3-(3,5-dimethylphenyl)-6-ethylisoquinoline.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-6-ethylisoquinoline?
The canonical SMILES for 3-(3,5-dimethylphenyl)-6-ethylisoquinoline is CCc1ccc2cnc(-c3cc(C)cc(C)c3)cc2c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-6-ethylisoquinoline?
The InChIKey is FFENXKFFVXAPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-4-15-5-6-16-12-20-19(11-17(16)10-15)18-8-13(2)7-14(3)9-18/h5-12H,4H2,1-3H3.
What are the key properties of 3-(3,5-dimethylphenyl)-6-ethylisoquinoline?
3-(3,5-dimethylphenyl)-6-ethylisoquinoline has a molecular weight of 261.37 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-6-ethylisoquinoline is sourced from PubChem (CID 170527343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).