2-benzyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline

C20H19N — CID 62721697

IUPAC2-benzyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline
SMILESc1ccc(CC2Cc3c(ccc4ccccc34)CN2)cc1
InChIInChI=1S/C20H19N/c1-2-6-15(7-3-1)12-18-13-20-17(14-21-18)11-10-16-8-4-5-9-19(16)20/h1-11,18,21H,12-14H2
InChIKeyRXBOCXPZFWZXRO-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.10
Rot. Bonds2

About 2-benzyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline

2-benzyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline (PubChem CID 62721697) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-benzyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline.

Molecular Properties

Compound Name2-benzyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline
PubChem CID62721697
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name2-benzyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline
SMILESc1ccc(CC2Cc3c(ccc4ccccc34)CN2)cc1
InChIInChI=1S/C20H19N/c1-2-6-15(7-3-1)12-18-13-20-17(14-21-18)11-10-16-8-4-5-9-19(16)20/h1-11,18,21H,12-14H2
InChIKeyRXBOCXPZFWZXRO-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 79970904
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3-benzyl-8-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 59323086
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3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene
CID 145489428
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CID 97102714
2-benzyl-1,2-dihydrobenzo[e][1]benzofuran
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(2S)-2-benzylazetidine;molecular hydrogen
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(2R)-2-benzyl-2,3-dihydro-1H-indole
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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline?
The IUPAC name of 2-benzyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline (CID 62721697) is 2-benzyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline.
What is the SMILES notation for 2-benzyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline?
The canonical SMILES for 2-benzyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline is c1ccc(CC2Cc3c(ccc4ccccc34)CN2)cc1.
What is the InChIKey of 2-benzyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline?
The InChIKey is RXBOCXPZFWZXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-2-6-15(7-3-1)12-18-13-20-17(14-21-18)11-10-16-8-4-5-9-19(16)20/h1-11,18,21H,12-14H2.
What are the key properties of 2-benzyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline?
2-benzyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline has a molecular weight of 273.38 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline is sourced from PubChem (CID 62721697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).