(2R)-2-[(15R,19S)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-2-phenylethanol

C26H25NO — CID 101233461

IUPAC(2R)-2-[(15R,19S)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-2-phenylethanol
SMILESOC[C@@H](c1ccccc1)N1C[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1
InChIInChI=1S/C26H25NO/c28-16-24(17-8-2-1-3-9-17)27-14-22-23(15-27)26-19-11-5-4-10-18(19)25(22)20-12-6-7-13-21(20)26/h1-13,22-26,28H,14-16H2/t22-,23+,24-,25?,26?/m0/s1
InChIKeyAWAZIDPIFNLUNW-LTKVOYPCSA-N
MW367.49 g/mol
LogP4.56
Rot. Bonds3

About (2R)-2-[(15R,19S)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-2-phenylethanol

(2R)-2-[(15R,19S)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-2-phenylethanol (PubChem CID 101233461) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is (2R)-2-[(15R,19S)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(15R,19S)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-2-phenylethanol
PubChem CID101233461
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name(2R)-2-[(15R,19S)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-2-phenylethanol
SMILESOC[C@@H](c1ccccc1)N1C[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1
InChIInChI=1S/C26H25NO/c28-16-24(17-8-2-1-3-9-17)27-14-22-23(15-27)26-19-11-5-4-10-18(19)25(22)20-12-6-7-13-21(20)26/h1-13,22-26,28H,14-16H2/t22-,23+,24-,25?,26?/m0/s1
InChIKeyAWAZIDPIFNLUNW-LTKVOYPCSA-N
XLogP4.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(15R,19S)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-2-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethylazetidin-1-yl)-2-phenylethanol
CID 104549564
(2R)-2-[(4R)-4-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethanol
CID 11150225
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
(2S)-2-[(2R,5S)-2,5-diphenylpyrrolidin-1-yl]-2-phenylethanol
CID 11089186
2-(4-phenylphenyl)-2-pyrrolidin-1-ylethanol
CID 116860322
4-phenyl-4-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)butan-1-ol
CID 70186639
(2S)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylethanol
CID 70213371
(2R)-2-(3-methylidenepiperazin-1-yl)-2-phenylethanol
CID 89227380
2-(2-methylazetidin-1-yl)-2-phenylethanol
CID 104549553
1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione
CID 71354940
3-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83936530
(3aS,6aR)-5-benzyl-2-[(1R)-2-hydroxy-1-(4-hydroxyphenyl)ethyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol
CID 138503499

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(15R,19S)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-2-phenylethanol?
The IUPAC name of (2R)-2-[(15R,19S)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-2-phenylethanol (CID 101233461) is (2R)-2-[(15R,19S)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(15R,19S)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(15R,19S)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-2-phenylethanol is OC[C@@H](c1ccccc1)N1C[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1.
What is the InChIKey of (2R)-2-[(15R,19S)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-2-phenylethanol?
The InChIKey is AWAZIDPIFNLUNW-LTKVOYPCSA-N. The full InChI is InChI=1S/C26H25NO/c28-16-24(17-8-2-1-3-9-17)27-14-22-23(15-27)26-19-11-5-4-10-18(19)25(22)20-12-6-7-13-21(20)26/h1-13,22-26,28H,14-16H2/t22-,23+,24-,25?,26?/m0/s1.
What are the key properties of (2R)-2-[(15R,19S)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-2-phenylethanol?
(2R)-2-[(15R,19S)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-2-phenylethanol has a molecular weight of 367.49 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(15R,19S)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-2-phenylethanol is sourced from PubChem (CID 101233461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).