1-[(4-ethylphenyl)methyl]isoquinoline

C18H17N — CID 59715703

IUPAC1-[(4-ethylphenyl)methyl]isoquinoline
SMILESCCc1ccc(Cc2nccc3ccccc23)cc1
InChIInChI=1S/C18H17N/c1-2-14-7-9-15(10-8-14)13-18-17-6-4-3-5-16(17)11-12-19-18/h3-12H,2,13H2,1H3
InChIKeyPYQBEIDCAJWVOI-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.39
Rot. Bonds3

About 1-[(4-ethylphenyl)methyl]isoquinoline

1-[(4-ethylphenyl)methyl]isoquinoline (PubChem CID 59715703) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]isoquinoline.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]isoquinoline
PubChem CID59715703
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name1-[(4-ethylphenyl)methyl]isoquinoline
SMILESCCc1ccc(Cc2nccc3ccccc23)cc1
InChIInChI=1S/C18H17N/c1-2-14-7-9-15(10-8-14)13-18-17-6-4-3-5-16(17)11-12-19-18/h3-12H,2,13H2,1H3
InChIKeyPYQBEIDCAJWVOI-UHFFFAOYSA-N
XLogP4.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzylisoquinoline;1H-pyrrole
CID 175525333
N-[4-(isoquinolin-1-ylmethyl)phenyl]butanamide
CID 67036636
1-(4-ethylphenyl)isoquinoline
CID 58184660
1-[[2-(isoquinolin-1-ylmethyl)phenyl]methyl]isoquinoline
CID 23631798
N-[3-[4-(isoquinolin-1-ylmethyl)phenyl]propyl]ethanesulfonamide
CID 91234571
1-[(3,5-dimethoxyphenyl)methyl]isoquinoline
CID 13463308
4-[4-(isoquinolin-1-ylmethyl)phenyl]-2-methylbut-3-yn-2-ol
CID 59715669
3-[4-(isoquinolin-1-ylmethyl)phenyl]propanamide
CID 59715719
3-[4-(isoquinolin-1-ylmethyl)phenyl]propane-1-sulfinic acid
CID 174406103
5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethylpentanamide
CID 67120735
3-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethylprop-2-enamide
CID 67036576
4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol
CID 101394802

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]isoquinoline?
The IUPAC name of 1-[(4-ethylphenyl)methyl]isoquinoline (CID 59715703) is 1-[(4-ethylphenyl)methyl]isoquinoline.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]isoquinoline?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]isoquinoline is CCc1ccc(Cc2nccc3ccccc23)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]isoquinoline?
The InChIKey is PYQBEIDCAJWVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-2-14-7-9-15(10-8-14)13-18-17-6-4-3-5-16(17)11-12-19-18/h3-12H,2,13H2,1H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]isoquinoline?
1-[(4-ethylphenyl)methyl]isoquinoline has a molecular weight of 247.34 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]isoquinoline is sourced from PubChem (CID 59715703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).