2,3,3-trimethyl-4-phenyl-1,4-dihydroisoquinoline

C18H21N — CID 12640141

IUPAC2,3,3-trimethyl-4-phenyl-1,4-dihydroisoquinoline
SMILESCN1Cc2ccccc2C(c2ccccc2)C1(C)C
InChIInChI=1S/C18H21N/c1-18(2)17(14-9-5-4-6-10-14)16-12-8-7-11-15(16)13-19(18)3/h4-12,17H,13H2,1-3H3
InChIKeyNAGTYLZLBKAWTJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.04
Rot. Bonds1

About 2,3,3-trimethyl-4-phenyl-1,4-dihydroisoquinoline

2,3,3-trimethyl-4-phenyl-1,4-dihydroisoquinoline (PubChem CID 12640141) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-phenyl-1,4-dihydroisoquinoline.

Molecular Properties

Compound Name2,3,3-trimethyl-4-phenyl-1,4-dihydroisoquinoline
PubChem CID12640141
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2,3,3-trimethyl-4-phenyl-1,4-dihydroisoquinoline
SMILESCN1Cc2ccccc2C(c2ccccc2)C1(C)C
InChIInChI=1S/C18H21N/c1-18(2)17(14-9-5-4-6-10-14)16-12-8-7-11-15(16)13-19(18)3/h4-12,17H,13H2,1-3H3
InChIKeyNAGTYLZLBKAWTJ-UHFFFAOYSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1,3-diphenyl-1,3-dihydroindene
CID 20781734
3-benzyl-2,3-dimethyl-1,4-dihydroisoquinolin-4-ol
CID 102338667
2-methyl-5,6-diphenyl-3,4,5,6-tetrahydro-1H-2-benzazocine
CID 4067062
4-phenyl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 142167695
(5S)-2-methyl-5-phenyl-4,5-dihydro-1H-2,4-benzodiazepine-3-thione
CID 129363287
(3R)-1,2,2-trimethyl-3-phenylaziridine
CID 99770138
1,2-dimethyl-1,3-dihydroisoindole
CID 14708634
2-butan-2-yl-1-phenyl-1,3-dihydroisoindole
CID 70881195
4-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydro-1H-isoquinoline
CID 12640128
(3S,6R,11S)-2,2,6,11-tetramethyl-9-oxa-1-azatetracyclo[8.8.0.03,8.012,17]octadeca-12,14,16-triene
CID 101098058
2-(2-methylsulfanylethyl)-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 112812893
3-benzyl-2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepine
CID 14978261

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-phenyl-1,4-dihydroisoquinoline?
The IUPAC name of 2,3,3-trimethyl-4-phenyl-1,4-dihydroisoquinoline (CID 12640141) is 2,3,3-trimethyl-4-phenyl-1,4-dihydroisoquinoline.
What is the SMILES notation for 2,3,3-trimethyl-4-phenyl-1,4-dihydroisoquinoline?
The canonical SMILES for 2,3,3-trimethyl-4-phenyl-1,4-dihydroisoquinoline is CN1Cc2ccccc2C(c2ccccc2)C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-4-phenyl-1,4-dihydroisoquinoline?
The InChIKey is NAGTYLZLBKAWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-18(2)17(14-9-5-4-6-10-14)16-12-8-7-11-15(16)13-19(18)3/h4-12,17H,13H2,1-3H3.
What are the key properties of 2,3,3-trimethyl-4-phenyl-1,4-dihydroisoquinoline?
2,3,3-trimethyl-4-phenyl-1,4-dihydroisoquinoline has a molecular weight of 251.37 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4-phenyl-1,4-dihydroisoquinoline is sourced from PubChem (CID 12640141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).