(4R)-8-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline

C10H12ClN — CID 86317043

IUPAC(4R)-8-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESC[C@H]1CNCc2c(Cl)cccc21
InChIInChI=1S/C10H12ClN/c1-7-5-12-6-9-8(7)3-2-4-10(9)11/h2-4,7,12H,5-6H2,1H3/t7-/m0/s1
InChIKeyKMFQOPFKQGEQNM-ZETCQYMHSA-N
MW181.67 g/mol
LogP2.55
Rot. Bonds

About (4R)-8-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline

(4R)-8-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 86317043) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is (4R)-8-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(4R)-8-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID86317043
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name(4R)-8-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESC[C@H]1CNCc2c(Cl)cccc21
InChIInChI=1S/C10H12ClN/c1-7-5-12-6-9-8(7)3-2-4-10(9)11/h2-4,7,12H,5-6H2,1H3/t7-/m0/s1
InChIKeyKMFQOPFKQGEQNM-ZETCQYMHSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (4R)-8-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline (CID 86317043) is (4R)-8-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (4R)-8-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (4R)-8-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline is C[C@H]1CNCc2c(Cl)cccc21.
What is the InChIKey of (4R)-8-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is KMFQOPFKQGEQNM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12ClN/c1-7-5-12-6-9-8(7)3-2-4-10(9)11/h2-4,7,12H,5-6H2,1H3/t7-/m0/s1.
What are the key properties of (4R)-8-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline?
(4R)-8-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 181.67 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 86317043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).