(1R)-1-methyl-7-phenoxy-1,2,3,4-tetrahydroisoquinoline

C16H17NO — CID 96989866

IUPAC(1R)-1-methyl-7-phenoxy-1,2,3,4-tetrahydroisoquinoline
SMILESC[C@H]1NCCc2ccc(Oc3ccccc3)cc21
InChIInChI=1S/C16H17NO/c1-12-16-11-15(8-7-13(16)9-10-17-12)18-14-5-3-2-4-6-14/h2-8,11-12,17H,9-10H2,1H3/t12-/m1/s1
InChIKeySFIPFYUMZNUSIK-GFCCVEGCSA-N
MW239.32 g/mol
LogP3.69
Rot. Bonds2

About (1R)-1-methyl-7-phenoxy-1,2,3,4-tetrahydroisoquinoline

(1R)-1-methyl-7-phenoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 96989866) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (1R)-1-methyl-7-phenoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1R)-1-methyl-7-phenoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID96989866
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(1R)-1-methyl-7-phenoxy-1,2,3,4-tetrahydroisoquinoline
SMILESC[C@H]1NCCc2ccc(Oc3ccccc3)cc21
InChIInChI=1S/C16H17NO/c1-12-16-11-15(8-7-13(16)9-10-17-12)18-14-5-3-2-4-6-14/h2-8,11-12,17H,9-10H2,1H3/t12-/m1/s1
InChIKeySFIPFYUMZNUSIK-GFCCVEGCSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-7-phenoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1R)-1-methyl-7-phenoxy-1,2,3,4-tetrahydroisoquinoline (CID 96989866) is (1R)-1-methyl-7-phenoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1R)-1-methyl-7-phenoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1R)-1-methyl-7-phenoxy-1,2,3,4-tetrahydroisoquinoline is C[C@H]1NCCc2ccc(Oc3ccccc3)cc21.
What is the InChIKey of (1R)-1-methyl-7-phenoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is SFIPFYUMZNUSIK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-16-11-15(8-7-13(16)9-10-17-12)18-14-5-3-2-4-6-14/h2-8,11-12,17H,9-10H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-methyl-7-phenoxy-1,2,3,4-tetrahydroisoquinoline?
(1R)-1-methyl-7-phenoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 239.32 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-7-phenoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 96989866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).