2-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline

C27H30N2 — CID 70274207

IUPAC2-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc(CN2CC(CN3CCc4ccccc4C3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C27H30N2/c1-3-9-22(10-4-1)17-29-20-26(27(21-29)24-12-5-2-6-13-24)19-28-16-15-23-11-7-8-14-25(23)18-28/h1-14,26-27H,15-21H2
InChIKeyZDJLQGPWSWJDKP-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.96
Rot. Bonds5

About 2-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline

2-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 70274207) has the molecular formula C27H30N2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID70274207
Molecular FormulaC27H30N2
Molecular Weight382.55 g/mol
Exact Mass382.24
IUPAC Name2-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc(CN2CC(CN3CCc4ccccc4C3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C27H30N2/c1-3-9-22(10-4-1)17-29-20-26(27(21-29)24-12-5-2-6-13-24)19-28-16-15-23-11-7-8-14-25(23)18-28/h1-14,26-27H,15-21H2
InChIKeyZDJLQGPWSWJDKP-UHFFFAOYSA-N
XLogP4.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 70273689
1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine
CID 70272863
1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine
CID 22116082
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 42863539
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
(3R,4R)-1-benzyl-4-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]pyrrolidin-3-ol
CID 24782861
1,3-benzodioxol-5-yl-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-phenylpyrrolidin-1-yl]methanone
CID 42863650
ethyl 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate
CID 70200252
[(3R,4R)-1-[(4-iodophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759007
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572
(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
CID 71104653

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline (CID 70274207) is 2-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline is c1ccc(CN2CC(CN3CCc4ccccc4C3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 2-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is ZDJLQGPWSWJDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2/c1-3-9-22(10-4-1)17-29-20-26(27(21-29)24-12-5-2-6-13-24)19-28-16-15-23-11-7-8-14-25(23)18-28/h1-14,26-27H,15-21H2.
What are the key properties of 2-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline?
2-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 382.55 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 70274207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).