2,4-dibenzyl-3,4-dihydro-1H-isoquinoline

C23H23N — CID 135053737

IUPAC2,4-dibenzyl-3,4-dihydro-1H-isoquinoline
SMILESc1ccc(CC2CN(Cc3ccccc3)Cc3ccccc32)cc1
InChIInChI=1S/C23H23N/c1-3-9-19(10-4-1)15-22-18-24(16-20-11-5-2-6-12-20)17-21-13-7-8-14-23(21)22/h1-14,22H,15-18H2
InChIKeyOACCZEOGOGDWEP-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.03
Rot. Bonds4

About 2,4-dibenzyl-3,4-dihydro-1H-isoquinoline

2,4-dibenzyl-3,4-dihydro-1H-isoquinoline (PubChem CID 135053737) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 2,4-dibenzyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2,4-dibenzyl-3,4-dihydro-1H-isoquinoline
PubChem CID135053737
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name2,4-dibenzyl-3,4-dihydro-1H-isoquinoline
SMILESc1ccc(CC2CN(Cc3ccccc3)Cc3ccccc32)cc1
InChIInChI=1S/C23H23N/c1-3-9-19(10-4-1)15-22-18-24(16-20-11-5-2-6-12-20)17-21-13-7-8-14-23(21)22/h1-14,22H,15-18H2
InChIKeyOACCZEOGOGDWEP-UHFFFAOYSA-N
XLogP5.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-2-benzyl-4-fluoro-3,4-dihydro-1H-isoquinoline
CID 7202580
2-(2-benzyl-3,4-dihydro-1H-isoquinolin-4-yl)-1-phenylethanone
CID 146163387
(4S)-2-benzyl-N,N-dimethyl-3,4-dihydro-1H-isoquinolin-4-amine
CID 129403964
2-benzyl-4-tert-butyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 118072736
(1S)-1-benzyl-2,3-dihydro-1H-indene
CID 134957742
1-benzyl-2-methyl-1,3-dihydroisoindole
CID 10585192
2,4-diethyl-3,4-dihydro-1H-isoquinoline
CID 56971515
tert-butyl 2-benzyl-3,4-dihydro-1H-isoquinoline-4-carboxylate
CID 102580157
10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride
CID 69032798
2-[(3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65263019
2-[(3S,4R)-1-benzyl-4-(2-hydroxyphenyl)pyrrolidin-3-yl]phenol
CID 70345589
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046

Frequently Asked Questions

What is the IUPAC name of 2,4-dibenzyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2,4-dibenzyl-3,4-dihydro-1H-isoquinoline (CID 135053737) is 2,4-dibenzyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2,4-dibenzyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2,4-dibenzyl-3,4-dihydro-1H-isoquinoline is c1ccc(CC2CN(Cc3ccccc3)Cc3ccccc32)cc1.
What is the InChIKey of 2,4-dibenzyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is OACCZEOGOGDWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c1-3-9-19(10-4-1)15-22-18-24(16-20-11-5-2-6-12-20)17-21-13-7-8-14-23(21)22/h1-14,22H,15-18H2.
What are the key properties of 2,4-dibenzyl-3,4-dihydro-1H-isoquinoline?
2,4-dibenzyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 313.44 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibenzyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 135053737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).