(3S)-3-methyl-4-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]morpholine

C15H22N2O — CID 93111764

IUPAC(3S)-3-methyl-4-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]morpholine
SMILESC[C@H]1COCCN1C[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H22N2O/c1-12-11-18-7-6-17(12)10-15-8-13-4-2-3-5-14(13)9-16-15/h2-5,12,15-16H,6-11H2,1H3/t12-,15-/m0/s1
InChIKeyWRAZJDGBGHQEHP-WFASDCNBSA-N
MW246.35 g/mol
LogP1.42
Rot. Bonds2

About (3S)-3-methyl-4-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]morpholine

(3S)-3-methyl-4-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]morpholine (PubChem CID 93111764) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (3S)-3-methyl-4-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name(3S)-3-methyl-4-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]morpholine
PubChem CID93111764
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(3S)-3-methyl-4-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]morpholine
SMILESC[C@H]1COCCN1C[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H22N2O/c1-12-11-18-7-6-17(12)10-15-8-13-4-2-3-5-14(13)9-16-15/h2-5,12,15-16H,6-11H2,1H3/t12-,15-/m0/s1
InChIKeyWRAZJDGBGHQEHP-WFASDCNBSA-N
XLogP1.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]morpholine?
The IUPAC name of (3S)-3-methyl-4-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]morpholine (CID 93111764) is (3S)-3-methyl-4-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]morpholine.
What is the SMILES notation for (3S)-3-methyl-4-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]morpholine?
The canonical SMILES for (3S)-3-methyl-4-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]morpholine is C[C@H]1COCCN1C[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of (3S)-3-methyl-4-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]morpholine?
The InChIKey is WRAZJDGBGHQEHP-WFASDCNBSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-11-18-7-6-17(12)10-15-8-13-4-2-3-5-14(13)9-16-15/h2-5,12,15-16H,6-11H2,1H3/t12-,15-/m0/s1.
What are the key properties of (3S)-3-methyl-4-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]morpholine?
(3S)-3-methyl-4-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]morpholine has a molecular weight of 246.35 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]morpholine is sourced from PubChem (CID 93111764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).