(1R)-1,2,7-trimethyl-3,4-dihydro-1H-isoquinoline

C12H17N — CID 102162097

IUPAC(1R)-1,2,7-trimethyl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1)[C@@H](C)N(C)CC2
InChIInChI=1S/C12H17N/c1-9-4-5-11-6-7-13(3)10(2)12(11)8-9/h4-5,8,10H,6-7H2,1-3H3/t10-/m1/s1
InChIKeyQNUBMIAZHBADNZ-SNVBAGLBSA-N
MW175.28 g/mol
LogP2.54
Rot. Bonds

About (1R)-1,2,7-trimethyl-3,4-dihydro-1H-isoquinoline

(1R)-1,2,7-trimethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 102162097) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (1R)-1,2,7-trimethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(1R)-1,2,7-trimethyl-3,4-dihydro-1H-isoquinoline
PubChem CID102162097
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(1R)-1,2,7-trimethyl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1)[C@@H](C)N(C)CC2
InChIInChI=1S/C12H17N/c1-9-4-5-11-6-7-13(3)10(2)12(11)8-9/h4-5,8,10H,6-7H2,1-3H3/t10-/m1/s1
InChIKeyQNUBMIAZHBADNZ-SNVBAGLBSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1,2,7-trimethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (1R)-1,2,7-trimethyl-3,4-dihydro-1H-isoquinoline (CID 102162097) is (1R)-1,2,7-trimethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (1R)-1,2,7-trimethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (1R)-1,2,7-trimethyl-3,4-dihydro-1H-isoquinoline is Cc1ccc2c(c1)[C@@H](C)N(C)CC2.
What is the InChIKey of (1R)-1,2,7-trimethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is QNUBMIAZHBADNZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N/c1-9-4-5-11-6-7-13(3)10(2)12(11)8-9/h4-5,8,10H,6-7H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1,2,7-trimethyl-3,4-dihydro-1H-isoquinoline?
(1R)-1,2,7-trimethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 175.28 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,2,7-trimethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 102162097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).