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

C10H12ClN — CID 94365199

IUPAC(1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESC[C@H]1NCCc2ccc(Cl)cc21
InChIInChI=1S/C10H12ClN/c1-7-10-6-9(11)3-2-8(10)4-5-12-7/h2-3,6-7,12H,4-5H2,1H3/t7-/m1/s1
InChIKeyGHIIYGFXXDYEKQ-SSDOTTSWSA-N
MW181.67 g/mol
LogP2.55
Rot. Bonds

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

(1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 94365199) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is (1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID94365199
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name(1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESC[C@H]1NCCc2ccc(Cl)cc21
InChIInChI=1S/C10H12ClN/c1-7-10-6-9(11)3-2-8(10)4-5-12-7/h2-3,6-7,12H,4-5H2,1H3/t7-/m1/s1
InChIKeyGHIIYGFXXDYEKQ-SSDOTTSWSA-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 (1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline (CID 94365199) is (1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline is C[C@H]1NCCc2ccc(Cl)cc21.
What is the InChIKey of (1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is GHIIYGFXXDYEKQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12ClN/c1-7-10-6-9(11)3-2-8(10)4-5-12-7/h2-3,6-7,12H,4-5H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
(1R)-7-chloro-1-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 (1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 94365199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).