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Teprin

C21H24ClNO — CID 10382715

💊View drug profile → clobenztropine

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(1S,5R)-3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CC[C@H]1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2
InChIInChI=1S/C21H24ClNO/c1-23-18-11-12-19(23)14-20(13-18)24-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,18-21H,11-14H2,1H3/t18-,19+,20?,21?
InChIKeyOCAXFDULERPAJM-WHSGIHJSSA-N
MW341.88 g/mol
LogP5.07
Rot. Bonds4

About Teprin

Teprin (PubChem CID 10382715) has the molecular formula C21H24ClNO and a molecular weight of 341.88 g/mol. Its IUPAC name is (1S,5R)-3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound NameTeprin
PubChem CID10382715
Molecular FormulaC21H24ClNO
Molecular Weight341.88 g/mol
Exact Mass341.15
IUPAC Name(1S,5R)-3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CC[C@H]1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2
InChIInChI=1S/C21H24ClNO/c1-23-18-11-12-19(23)14-20(13-18)24-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,18-21H,11-14H2,1H3/t18-,19+,20?,21?
InChIKeyOCAXFDULERPAJM-WHSGIHJSSA-N
XLogP5.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.88
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Clemastine
CID 26987
Cloperastine
CID 2805
med.21724, Compound Benztropine
CID 1201549
Clobenztropine
CID 1687
8-Azabicyclo[3.2.1]octane, 3-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-8-methyl-, endo-
CID 16576
(3-Exo)-3-(10,11-dihydro-5H-dibenzo(A,D)(7)annulen-5-yloxy)-8,8-dimethyl-8-azoniabicyclo(3.2.1)octane
CID 21124461
3-[Bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 3929516
2-[2-[1-(4-Chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine
CID 2781

Frequently Asked Questions

What is the IUPAC name of Teprin?
The IUPAC name of Teprin (CID 10382715) is (1S,5R)-3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for Teprin?
The canonical SMILES for Teprin is CN1[C@@H]2CC[C@H]1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2.
What is the InChIKey of Teprin?
The InChIKey is OCAXFDULERPAJM-WHSGIHJSSA-N. The full InChI is InChI=1S/C21H24ClNO/c1-23-18-11-12-19(23)14-20(13-18)24-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,18-21H,11-14H2,1H3/t18-,19+,20?,21?.
What are the key properties of Teprin?
Teprin has a molecular weight of 341.88 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Teprin is sourced from PubChem (CID 10382715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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