(3R)-3,5-dimethyl-1,2,3,4-tetrahydroisoquinoline

C11H15N — CID 35700262

IUPAC(3R)-3,5-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cccc2c1C[C@@H](C)NC2
InChIInChI=1S/C11H15N/c1-8-4-3-5-10-7-12-9(2)6-11(8)10/h3-5,9,12H,6-7H2,1-2H3/t9-/m1/s1
InChIKeyJEDGYFXHKLWMCA-SECBINFHSA-N
MW161.25 g/mol
LogP2.03
Rot. Bonds

About (3R)-3,5-dimethyl-1,2,3,4-tetrahydroisoquinoline

(3R)-3,5-dimethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 35700262) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (3R)-3,5-dimethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(3R)-3,5-dimethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID35700262
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(3R)-3,5-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cccc2c1C[C@@H](C)NC2
InChIInChI=1S/C11H15N/c1-8-4-3-5-10-7-12-9(2)6-11(8)10/h3-5,9,12H,6-7H2,1-2H3/t9-/m1/s1
InChIKeyJEDGYFXHKLWMCA-SECBINFHSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3,5-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (3R)-3,5-dimethyl-1,2,3,4-tetrahydroisoquinoline (CID 35700262) is (3R)-3,5-dimethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (3R)-3,5-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (3R)-3,5-dimethyl-1,2,3,4-tetrahydroisoquinoline is Cc1cccc2c1C[C@@H](C)NC2.
What is the InChIKey of (3R)-3,5-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JEDGYFXHKLWMCA-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N/c1-8-4-3-5-10-7-12-9(2)6-11(8)10/h3-5,9,12H,6-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-3,5-dimethyl-1,2,3,4-tetrahydroisoquinoline?
(3R)-3,5-dimethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 161.25 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,5-dimethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 35700262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).