2-benzyl-1,2,3,4-tetrahydroquinoline

C16H17N — CID 14293586

IUPAC2-benzyl-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(CC2CCc3ccccc3N2)cc1
InChIInChI=1S/C16H17N/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)17-15/h1-9,15,17H,10-12H2
InChIKeyQEYCTWCXRNTSEP-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.66
Rot. Bonds2

About 2-benzyl-1,2,3,4-tetrahydroquinoline

2-benzyl-1,2,3,4-tetrahydroquinoline (PubChem CID 14293586) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-benzyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-benzyl-1,2,3,4-tetrahydroquinoline
PubChem CID14293586
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-benzyl-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(CC2CCc3ccccc3N2)cc1
InChIInChI=1S/C16H17N/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)17-15/h1-9,15,17H,10-12H2
InChIKeyQEYCTWCXRNTSEP-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-benzyl-1,2,3,4-tetrahydroquinoline (CID 14293586) is 2-benzyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-benzyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-benzyl-1,2,3,4-tetrahydroquinoline is c1ccc(CC2CCc3ccccc3N2)cc1.
What is the InChIKey of 2-benzyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is QEYCTWCXRNTSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)17-15/h1-9,15,17H,10-12H2.
What are the key properties of 2-benzyl-1,2,3,4-tetrahydroquinoline?
2-benzyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 223.32 g/mol, XLogP of 3.66, 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-tetrahydroquinoline is sourced from PubChem (CID 14293586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).