1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline

C17H19N — CID 12743117

IUPAC1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc(CCC2NCCc3ccccc32)cc1
InChIInChI=1S/C17H19N/c1-2-6-14(7-3-1)10-11-17-16-9-5-4-8-15(16)12-13-18-17/h1-9,17-18H,10-13H2
InChIKeyUKUJIVVXTYWNIO-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.51
Rot. Bonds3

About 1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline

1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 12743117) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID12743117
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc(CCC2NCCc3ccccc32)cc1
InChIInChI=1S/C17H19N/c1-2-6-14(7-3-1)10-11-17-16-9-5-4-8-15(16)12-13-18-17/h1-9,17-18H,10-13H2
InChIKeyUKUJIVVXTYWNIO-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline (CID 12743117) is 1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline is c1ccc(CCC2NCCc3ccccc32)cc1.
What is the InChIKey of 1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UKUJIVVXTYWNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-2-6-14(7-3-1)10-11-17-16-9-5-4-8-15(16)12-13-18-17/h1-9,17-18H,10-13H2.
What are the key properties of 1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline?
1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 237.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 12743117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).