5,7-dichloro-3-methyl-1,2,3,4-tetrahydroisoquinoline

C10H11Cl2N — CID 62374580

IUPAC5,7-dichloro-3-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1Cc2c(Cl)cc(Cl)cc2CN1
InChIInChI=1S/C10H11Cl2N/c1-6-2-9-7(5-13-6)3-8(11)4-10(9)12/h3-4,6,13H,2,5H2,1H3
InChIKeyXSXYXPZBRQKLLP-UHFFFAOYSA-N
MW216.11 g/mol
LogP3.03
Rot. Bonds

About 5,7-dichloro-3-methyl-1,2,3,4-tetrahydroisoquinoline

5,7-dichloro-3-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 62374580) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is 5,7-dichloro-3-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5,7-dichloro-3-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID62374580
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC Name5,7-dichloro-3-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1Cc2c(Cl)cc(Cl)cc2CN1
InChIInChI=1S/C10H11Cl2N/c1-6-2-9-7(5-13-6)3-8(11)4-10(9)12/h3-4,6,13H,2,5H2,1H3
InChIKeyXSXYXPZBRQKLLP-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5,7-dichloro-3-methyl-1,2,3,4-tetrahydroisoquinoline (CID 62374580) is 5,7-dichloro-3-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5,7-dichloro-3-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5,7-dichloro-3-methyl-1,2,3,4-tetrahydroisoquinoline is CC1Cc2c(Cl)cc(Cl)cc2CN1.
What is the InChIKey of 5,7-dichloro-3-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is XSXYXPZBRQKLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N/c1-6-2-9-7(5-13-6)3-8(11)4-10(9)12/h3-4,6,13H,2,5H2,1H3.
What are the key properties of 5,7-dichloro-3-methyl-1,2,3,4-tetrahydroisoquinoline?
5,7-dichloro-3-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 216.11 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 62374580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).