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

C11H15N — CID 40527795

IUPAC(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC[C@@H]1NCCc2ccccc21
InChIInChI=1S/C11H15N/c1-2-11-10-6-4-3-5-9(10)7-8-12-11/h3-6,11-12H,2,7-8H2,1H3/t11-/m0/s1
InChIKeyUDWVZWUSBKDYPY-NSHDSACASA-N
MW161.25 g/mol
LogP2.28
Rot. Bonds1

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

(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 40527795) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID40527795
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC[C@@H]1NCCc2ccccc21
InChIInChI=1S/C11H15N/c1-2-11-10-6-4-3-5-9(10)7-8-12-11/h3-6,11-12H,2,7-8H2,1H3/t11-/m0/s1
InChIKeyUDWVZWUSBKDYPY-NSHDSACASA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline (CID 40527795) is (1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline is CC[C@@H]1NCCc2ccccc21.
What is the InChIKey of (1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UDWVZWUSBKDYPY-NSHDSACASA-N. The full InChI is InChI=1S/C11H15N/c1-2-11-10-6-4-3-5-9(10)7-8-12-11/h3-6,11-12H,2,7-8H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline?
(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 161.25 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 40527795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).