3-phenyl-5-[[(8S)-3-tricyclo[4.3.1.13,8]undecanyl]amino]cyclohexan-1-ol

C23H33NO — CID 155454288

IUPAC3-phenyl-5-[[(8S)-3-tricyclo[4.3.1.13,8]undecanyl]amino]cyclohexan-1-ol
SMILESOC1CC(NC23CCC4CC(C[C@H](C4)C2)C3)CC(c2ccccc2)C1
InChIInChI=1S/C23H33NO/c25-22-12-20(19-4-2-1-3-5-19)11-21(13-22)24-23-7-6-16-8-17(14-23)10-18(9-16)15-23/h1-5,16-18,20-22,24-25H,6-15H2/t16?,17-,18?,20?,21?,22?,23?/m0/s1
InChIKeyRSCPYUYINDNKEH-KRPOTMGCSA-N
MW339.52 g/mol
LogP4.63
Rot. Bonds3

About 3-phenyl-5-[[(8S)-3-tricyclo[4.3.1.13,8]undecanyl]amino]cyclohexan-1-ol

3-phenyl-5-[[(8S)-3-tricyclo[4.3.1.13,8]undecanyl]amino]cyclohexan-1-ol (PubChem CID 155454288) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 3-phenyl-5-[[(8S)-3-tricyclo[4.3.1.13,8]undecanyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-phenyl-5-[[(8S)-3-tricyclo[4.3.1.13,8]undecanyl]amino]cyclohexan-1-ol
PubChem CID155454288
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name3-phenyl-5-[[(8S)-3-tricyclo[4.3.1.13,8]undecanyl]amino]cyclohexan-1-ol
SMILESOC1CC(NC23CCC4CC(C[C@H](C4)C2)C3)CC(c2ccccc2)C1
InChIInChI=1S/C23H33NO/c25-22-12-20(19-4-2-1-3-5-19)11-21(13-22)24-23-7-6-16-8-17(14-23)10-18(9-16)15-23/h1-5,16-18,20-22,24-25H,6-15H2/t16?,17-,18?,20?,21?,22?,23?/m0/s1
InChIKeyRSCPYUYINDNKEH-KRPOTMGCSA-N
XLogP4.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[[(8S)-3-tricyclo[4.3.1.13,8]undecanyl]amino]cyclohexan-1-ol?
The IUPAC name of 3-phenyl-5-[[(8S)-3-tricyclo[4.3.1.13,8]undecanyl]amino]cyclohexan-1-ol (CID 155454288) is 3-phenyl-5-[[(8S)-3-tricyclo[4.3.1.13,8]undecanyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 3-phenyl-5-[[(8S)-3-tricyclo[4.3.1.13,8]undecanyl]amino]cyclohexan-1-ol?
The canonical SMILES for 3-phenyl-5-[[(8S)-3-tricyclo[4.3.1.13,8]undecanyl]amino]cyclohexan-1-ol is OC1CC(NC23CCC4CC(C[C@H](C4)C2)C3)CC(c2ccccc2)C1.
What is the InChIKey of 3-phenyl-5-[[(8S)-3-tricyclo[4.3.1.13,8]undecanyl]amino]cyclohexan-1-ol?
The InChIKey is RSCPYUYINDNKEH-KRPOTMGCSA-N. The full InChI is InChI=1S/C23H33NO/c25-22-12-20(19-4-2-1-3-5-19)11-21(13-22)24-23-7-6-16-8-17(14-23)10-18(9-16)15-23/h1-5,16-18,20-22,24-25H,6-15H2/t16?,17-,18?,20?,21?,22?,23?/m0/s1.
What are the key properties of 3-phenyl-5-[[(8S)-3-tricyclo[4.3.1.13,8]undecanyl]amino]cyclohexan-1-ol?
3-phenyl-5-[[(8S)-3-tricyclo[4.3.1.13,8]undecanyl]amino]cyclohexan-1-ol has a molecular weight of 339.52 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[[(8S)-3-tricyclo[4.3.1.13,8]undecanyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 155454288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).