8-[bis(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C20H21Cl2NO — CID 44593575

IUPAC8-[bis(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C20H21Cl2NO/c21-18-7-3-1-5-16(18)20(17-6-2-4-8-19(17)22)23-13-9-10-14(23)12-15(24)11-13/h1-8,13-15,20,24H,9-12H2
InChIKeyIWOBORNYYLIANT-UHFFFAOYSA-N
MW362.30 g/mol
LogP5.07
Rot. Bonds3

About 8-[bis(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[bis(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 44593575) has the molecular formula C20H21Cl2NO and a molecular weight of 362.30 g/mol. Its IUPAC name is 8-[bis(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[bis(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID44593575
Molecular FormulaC20H21Cl2NO
Molecular Weight362.30 g/mol
Exact Mass361.10
IUPAC Name8-[bis(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C20H21Cl2NO/c21-18-7-3-1-5-16(18)20(17-6-2-4-8-19(17)22)23-13-9-10-14(23)12-15(24)11-13/h1-8,13-15,20,24H,9-12H2
InChIKeyIWOBORNYYLIANT-UHFFFAOYSA-N
XLogP5.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.30
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[bis(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[bis(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 44593575) is 8-[bis(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[bis(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[bis(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 8-[bis(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is IWOBORNYYLIANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO/c21-18-7-3-1-5-16(18)20(17-6-2-4-8-19(17)22)23-13-9-10-14(23)12-15(24)11-13/h1-8,13-15,20,24H,9-12H2.
What are the key properties of 8-[bis(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[bis(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 362.30 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[bis(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 44593575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).