(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline

C10H13N — CID 7462302

IUPAC(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESC[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C10H13N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-5,8,11H,6-7H2,1H3/t8-/m0/s1
InChIKeyUEKQPSAKUNXFHL-QMMMGPOBSA-N
MW147.22 g/mol
LogP1.72
Rot. Bonds

About (3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline

(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 7462302) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID7462302
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESC[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C10H13N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-5,8,11H,6-7H2,1H3/t8-/m0/s1
InChIKeyUEKQPSAKUNXFHL-QMMMGPOBSA-N
XLogP1.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline (CID 7462302) is (3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline is C[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UEKQPSAKUNXFHL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-5,8,11H,6-7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline?
(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 147.22 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 7462302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).