1-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)-3-phenylpropan-1-ol

C22H27NO — CID 123345006

IUPAC1-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)-3-phenylpropan-1-ol
SMILESCc1ccccc1C(O)(CCc1ccccc1)C1CN2CCC1C2
InChIInChI=1S/C22H27NO/c1-17-7-5-6-10-20(17)22(24,13-11-18-8-3-2-4-9-18)21-16-23-14-12-19(21)15-23/h2-10,19,21,24H,11-16H2,1H3
InChIKeyBCKOIMGWYXZPQE-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.77
Rot. Bonds5

About 1-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)-3-phenylpropan-1-ol

1-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)-3-phenylpropan-1-ol (PubChem CID 123345006) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)-3-phenylpropan-1-ol
PubChem CID123345006
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name1-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)-3-phenylpropan-1-ol
SMILESCc1ccccc1C(O)(CCc1ccccc1)C1CN2CCC1C2
InChIInChI=1S/C22H27NO/c1-17-7-5-6-10-20(17)22(24,13-11-18-8-3-2-4-9-18)21-16-23-14-12-19(21)15-23/h2-10,19,21,24H,11-16H2,1H3
InChIKeyBCKOIMGWYXZPQE-UHFFFAOYSA-N
XLogP3.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)-3-phenylpropan-1-ol?
The IUPAC name of 1-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)-3-phenylpropan-1-ol (CID 123345006) is 1-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for 1-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)-3-phenylpropan-1-ol?
The canonical SMILES for 1-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)-3-phenylpropan-1-ol is Cc1ccccc1C(O)(CCc1ccccc1)C1CN2CCC1C2.
What is the InChIKey of 1-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)-3-phenylpropan-1-ol?
The InChIKey is BCKOIMGWYXZPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-17-7-5-6-10-20(17)22(24,13-11-18-8-3-2-4-9-18)21-16-23-14-12-19(21)15-23/h2-10,19,21,24H,11-16H2,1H3.
What are the key properties of 1-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)-3-phenylpropan-1-ol?
1-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)-3-phenylpropan-1-ol has a molecular weight of 321.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 123345006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).