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

C18H21N — CID 116545643

IUPAC4-(3-propylphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCCc1cccc(C2CNCc3ccccc32)c1
InChIInChI=1S/C18H21N/c1-2-6-14-7-5-9-15(11-14)18-13-19-12-16-8-3-4-10-17(16)18/h3-5,7-11,18-19H,2,6,12-13H2,1H3
InChIKeyNHHXOIKJYAERFE-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.87
Rot. Bonds3

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

4-(3-propylphenyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 116545643) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(3-propylphenyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(3-propylphenyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID116545643
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name4-(3-propylphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCCc1cccc(C2CNCc3ccccc32)c1
InChIInChI=1S/C18H21N/c1-2-6-14-7-5-9-15(11-14)18-13-19-12-16-8-3-4-10-17(16)18/h3-5,7-11,18-19H,2,6,12-13H2,1H3
InChIKeyNHHXOIKJYAERFE-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(3-propylphenyl)-1,2,3,4-tetrahydroisoquinoline (CID 116545643) is 4-(3-propylphenyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(3-propylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(3-propylphenyl)-1,2,3,4-tetrahydroisoquinoline is CCCc1cccc(C2CNCc3ccccc32)c1.
What is the InChIKey of 4-(3-propylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NHHXOIKJYAERFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-2-6-14-7-5-9-15(11-14)18-13-19-12-16-8-3-4-10-17(16)18/h3-5,7-11,18-19H,2,6,12-13H2,1H3.
What are the key properties of 4-(3-propylphenyl)-1,2,3,4-tetrahydroisoquinoline?
4-(3-propylphenyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 251.37 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propylphenyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 116545643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).