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

C21H19N — CID 59396601

IUPAC1,1-diphenyl-3,4-dihydro-2H-isoquinoline
SMILESc1ccc(C2(c3ccccc3)NCCc3ccccc32)cc1
InChIInChI=1S/C21H19N/c1-3-10-18(11-4-1)21(19-12-5-2-6-13-19)20-14-8-7-9-17(20)15-16-22-21/h1-14,22H,15-16H2
InChIKeyOXYLRDLKAZKZBL-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.12
Rot. Bonds2

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

1,1-diphenyl-3,4-dihydro-2H-isoquinoline (PubChem CID 59396601) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 1,1-diphenyl-3,4-dihydro-2H-isoquinoline.

Molecular Properties

Compound Name1,1-diphenyl-3,4-dihydro-2H-isoquinoline
PubChem CID59396601
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name1,1-diphenyl-3,4-dihydro-2H-isoquinoline
SMILESc1ccc(C2(c3ccccc3)NCCc3ccccc32)cc1
InChIInChI=1S/C21H19N/c1-3-10-18(11-4-1)21(19-12-5-2-6-13-19)20-14-8-7-9-17(20)15-16-22-21/h1-14,22H,15-16H2
InChIKeyOXYLRDLKAZKZBL-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride
CID 10220811
1-methylsulfanyl-1-phenyl-3,4-dihydro-2H-isoquinoline
CID 141431344
1-phenyl-3,4-dihydro-2H-isoquinoline-1-carbonyl chloride
CID 87238687
1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride
CID 67224173
spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]
CID 91557907
1,1-dimethoxy-3,4-dihydro-2H-isoquinoline
CID 66811083
1-(difluoromethyl)-1-fluoro-3,4-dihydro-2H-isoquinoline
CID 172771527
1-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline
CID 86105368
trichloromethyl (1S)-1-phenyl-3,4-dihydro-2H-isoquinoline-1-carboxylate
CID 142541642
(1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline
CID 99779575
2,3,4,5-tetrahydro-2-benzazepine-1,1-diol
CID 151467018
(1S)-1-(2-iodophenyl)-3,4-dihydro-2H-isoquinoline-1-carbonyl chloride
CID 87238689

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-3,4-dihydro-2H-isoquinoline?
The IUPAC name of 1,1-diphenyl-3,4-dihydro-2H-isoquinoline (CID 59396601) is 1,1-diphenyl-3,4-dihydro-2H-isoquinoline.
What is the SMILES notation for 1,1-diphenyl-3,4-dihydro-2H-isoquinoline?
The canonical SMILES for 1,1-diphenyl-3,4-dihydro-2H-isoquinoline is c1ccc(C2(c3ccccc3)NCCc3ccccc32)cc1.
What is the InChIKey of 1,1-diphenyl-3,4-dihydro-2H-isoquinoline?
The InChIKey is OXYLRDLKAZKZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-3-10-18(11-4-1)21(19-12-5-2-6-13-19)20-14-8-7-9-17(20)15-16-22-21/h1-14,22H,15-16H2.
What are the key properties of 1,1-diphenyl-3,4-dihydro-2H-isoquinoline?
1,1-diphenyl-3,4-dihydro-2H-isoquinoline has a molecular weight of 285.39 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-3,4-dihydro-2H-isoquinoline is sourced from PubChem (CID 59396601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).