4-[(S)-(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]morpholine

C20H22ClN5O — CID 30104890

IUPAC4-[(S)-(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]morpholine
SMILESCc1cccc(C)c1-n1nnnc1[C@H](c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C20H22ClN5O/c1-14-6-5-7-15(2)18(14)26-20(22-23-24-26)19(25-10-12-27-13-11-25)16-8-3-4-9-17(16)21/h3-9,19H,10-13H2,1-2H3/t19-/m0/s1
InChIKeyJELRJGFJFXWOCM-IBGZPJMESA-N
MW383.88 g/mol
LogP3.35
Rot. Bonds4

About 4-[(S)-(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]morpholine

4-[(S)-(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]morpholine (PubChem CID 30104890) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is 4-[(S)-(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[(S)-(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]morpholine
PubChem CID30104890
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name4-[(S)-(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]morpholine
SMILESCc1cccc(C)c1-n1nnnc1[C@H](c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C20H22ClN5O/c1-14-6-5-7-15(2)18(14)26-20(22-23-24-26)19(25-10-12-27-13-11-25)16-8-3-4-9-17(16)21/h3-9,19H,10-13H2,1-2H3/t19-/m0/s1
InChIKeyJELRJGFJFXWOCM-IBGZPJMESA-N
XLogP3.35
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(S)-(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[(S)-(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]morpholine (CID 30104890) is 4-[(S)-(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[(S)-(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[(S)-(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]morpholine is Cc1cccc(C)c1-n1nnnc1[C@H](c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of 4-[(S)-(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]morpholine?
The InChIKey is JELRJGFJFXWOCM-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22ClN5O/c1-14-6-5-7-15(2)18(14)26-20(22-23-24-26)19(25-10-12-27-13-11-25)16-8-3-4-9-17(16)21/h3-9,19H,10-13H2,1-2H3/t19-/m0/s1.
What are the key properties of 4-[(S)-(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]morpholine?
4-[(S)-(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]morpholine has a molecular weight of 383.88 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]morpholine is sourced from PubChem (CID 30104890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).