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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Related Compounds

1-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-methoxyphenyl)-1-(2-methylphenyl)ethanol
CID 89471751
1-azabicyclo[2.2.2]octan-3-yl-bis(2-methylphenyl)methanol;hydrochloride
CID 50853316
1-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-tert-butylphenyl)-2-phenylethanol;2-[[2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-3-hydroxy-3-phenylpropyl]benzoyl]amino]acetic acid;1-(1-azabicyclo[2.2.2]octan-3-yl)-1-(2-methylphenyl)-3-phenylpropan-1-ol;1-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-(oxan-4-yloxy)phenyl]-1-phenylpropan-1-ol;molecular hydrogen
CID 158295436
2-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-1-phenylbutan-2-ol;molecular hydrogen
CID 159476095
2-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-fluorophenyl)-1-(2-methylphenyl)ethanol
CID 123644092
1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol;iodomethane
CID 44655495
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
(3R)-3-benzyl-1-azabicyclo[2.2.2]octane;ethane;toluene
CID 91106786
2-(2-phenylethyl)propane-1,2,3-triol
CID 67654093
2-(2-methylphenoxy)-4-phenylbutan-2-ol
CID 70251454
N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine
CID 60856584
N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94909046

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).