1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline

C19H23NO — CID 83970438

IUPAC1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)Oc1ccc2c(c1)C(Cc1ccccc1)NCC2
InChIInChI=1S/C19H23NO/c1-14(2)21-17-9-8-16-10-11-20-19(18(16)13-17)12-15-6-4-3-5-7-15/h3-9,13-14,19-20H,10-12H2,1-2H3
InChIKeyKQKKJMJKJXKYOZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.90
Rot. Bonds4

About 1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline

1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83970438) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID83970438
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)Oc1ccc2c(c1)C(Cc1ccccc1)NCC2
InChIInChI=1S/C19H23NO/c1-14(2)21-17-9-8-16-10-11-20-19(18(16)13-17)12-15-6-4-3-5-7-15/h3-9,13-14,19-20H,10-12H2,1-2H3
InChIKeyKQKKJMJKJXKYOZ-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline (CID 83970438) is 1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline is CC(C)Oc1ccc2c(c1)C(Cc1ccccc1)NCC2.
What is the InChIKey of 1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is KQKKJMJKJXKYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(2)21-17-9-8-16-10-11-20-19(18(16)13-17)12-15-6-4-3-5-7-15/h3-9,13-14,19-20H,10-12H2,1-2H3.
What are the key properties of 1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 281.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83970438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).