7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

C18H21N — CID 55068608

IUPAC7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)C1NCCc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C18H21N/c1-13(2)18-17-12-16(14-6-4-3-5-7-14)9-8-15(17)10-11-19-18/h3-9,12-13,18-19H,10-11H2,1-2H3
InChIKeySUERHXUFQHQVRU-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.20
Rot. Bonds2

About 7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 55068608) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID55068608
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)C1NCCc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C18H21N/c1-13(2)18-17-12-16(14-6-4-3-5-7-14)9-8-15(17)10-11-19-18/h3-9,12-13,18-19H,10-11H2,1-2H3
InChIKeySUERHXUFQHQVRU-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 55068608) is 7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is CC(C)C1NCCc2ccc(-c3ccccc3)cc21.
What is the InChIKey of 7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is SUERHXUFQHQVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13(2)18-17-12-16(14-6-4-3-5-7-14)9-8-15(17)10-11-19-18/h3-9,12-13,18-19H,10-11H2,1-2H3.
What are the key properties of 7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 251.37 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 55068608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).