2-(3-methylphenyl)-2,3-dihydrobenzo[f]isoquinoline

C20H17N — CID 164714320

IUPAC2-(3-methylphenyl)-2,3-dihydrobenzo[f]isoquinoline
SMILESCc1cccc(C2C=c3c(ccc4ccccc34)=CN2)c1
InChIInChI=1S/C20H17N/c1-14-5-4-7-16(11-14)20-12-19-17(13-21-20)10-9-15-6-2-3-8-18(15)19/h2-13,20-21H,1H3
InChIKeyBUFOHNANNVZBTE-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.01
Rot. Bonds1

About 2-(3-methylphenyl)-2,3-dihydrobenzo[f]isoquinoline

2-(3-methylphenyl)-2,3-dihydrobenzo[f]isoquinoline (PubChem CID 164714320) has the molecular formula C20H17N and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(3-methylphenyl)-2,3-dihydrobenzo[f]isoquinoline.

Molecular Properties

Compound Name2-(3-methylphenyl)-2,3-dihydrobenzo[f]isoquinoline
PubChem CID164714320
Molecular FormulaC20H17N
Molecular Weight271.36 g/mol
Exact Mass271.14
IUPAC Name2-(3-methylphenyl)-2,3-dihydrobenzo[f]isoquinoline
SMILESCc1cccc(C2C=c3c(ccc4ccccc34)=CN2)c1
InChIInChI=1S/C20H17N/c1-14-5-4-7-16(11-14)20-12-19-17(13-21-20)10-9-15-6-2-3-8-18(15)19/h2-13,20-21H,1H3
InChIKeyBUFOHNANNVZBTE-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-2,3-dihydrobenzo[f]isoquinoline?
The IUPAC name of 2-(3-methylphenyl)-2,3-dihydrobenzo[f]isoquinoline (CID 164714320) is 2-(3-methylphenyl)-2,3-dihydrobenzo[f]isoquinoline.
What is the SMILES notation for 2-(3-methylphenyl)-2,3-dihydrobenzo[f]isoquinoline?
The canonical SMILES for 2-(3-methylphenyl)-2,3-dihydrobenzo[f]isoquinoline is Cc1cccc(C2C=c3c(ccc4ccccc34)=CN2)c1.
What is the InChIKey of 2-(3-methylphenyl)-2,3-dihydrobenzo[f]isoquinoline?
The InChIKey is BUFOHNANNVZBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N/c1-14-5-4-7-16(11-14)20-12-19-17(13-21-20)10-9-15-6-2-3-8-18(15)19/h2-13,20-21H,1H3.
What are the key properties of 2-(3-methylphenyl)-2,3-dihydrobenzo[f]isoquinoline?
2-(3-methylphenyl)-2,3-dihydrobenzo[f]isoquinoline has a molecular weight of 271.36 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-2,3-dihydrobenzo[f]isoquinoline is sourced from PubChem (CID 164714320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).