3-ethyl-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline

C18H21N — CID 23344298

IUPAC3-ethyl-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCCC1Cc2cccc(-c3ccccc3)c2CN1C
InChIInChI=1S/C18H21N/c1-3-16-12-15-10-7-11-17(18(15)13-19(16)2)14-8-5-4-6-9-14/h4-11,16H,3,12-13H2,1-2H3
InChIKeyCZQOGJBKQYQUSS-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.12
Rot. Bonds2

About 3-ethyl-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline

3-ethyl-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 23344298) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-ethyl-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name3-ethyl-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID23344298
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name3-ethyl-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCCC1Cc2cccc(-c3ccccc3)c2CN1C
InChIInChI=1S/C18H21N/c1-3-16-12-15-10-7-11-17(18(15)13-19(16)2)14-8-5-4-6-9-14/h4-11,16H,3,12-13H2,1-2H3
InChIKeyCZQOGJBKQYQUSS-UHFFFAOYSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 3-ethyl-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline (CID 23344298) is 3-ethyl-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 3-ethyl-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 3-ethyl-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline is CCC1Cc2cccc(-c3ccccc3)c2CN1C.
What is the InChIKey of 3-ethyl-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is CZQOGJBKQYQUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-3-16-12-15-10-7-11-17(18(15)13-19(16)2)14-8-5-4-6-9-14/h4-11,16H,3,12-13H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline?
3-ethyl-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 251.37 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 23344298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).