15-amino-1-methyl-6-phenyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol

C22H27NO — CID 139492246

IUPAC15-amino-1-methyl-6-phenyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol
SMILESCC12CCCCCC(Cc3c(-c4ccccc4)cc(O)cc31)C2N
InChIInChI=1S/C22H27NO/c1-22-11-7-3-6-10-16(21(22)23)12-19-18(13-17(24)14-20(19)22)15-8-4-2-5-9-15/h2,4-5,8-9,13-14,16,21,24H,3,6-7,10-12,23H2,1H3
InChIKeyXRVAAOWCLNWTKX-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.78
Rot. Bonds1

About 15-amino-1-methyl-6-phenyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol

15-amino-1-methyl-6-phenyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol (PubChem CID 139492246) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 15-amino-1-methyl-6-phenyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol.

Molecular Properties

Compound Name15-amino-1-methyl-6-phenyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol
PubChem CID139492246
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name15-amino-1-methyl-6-phenyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol
SMILESCC12CCCCCC(Cc3c(-c4ccccc4)cc(O)cc31)C2N
InChIInChI=1S/C22H27NO/c1-22-11-7-3-6-10-16(21(22)23)12-19-18(13-17(24)14-20(19)22)15-8-4-2-5-9-15/h2,4-5,8-9,13-14,16,21,24H,3,6-7,10-12,23H2,1H3
InChIKeyXRVAAOWCLNWTKX-UHFFFAOYSA-N
XLogP4.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

15-amino-6-ethyl-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol
CID 139492239
(1R,9R,15R)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol;hydrochloride
CID 71577923
[(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol
CID 153437146
(1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
CID 155036156
15-amino-1,5-dimethyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
CID 139492163
bis[(1R,9S,15S)-15-amino-6-fluoro-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] cyclohexane-1,4-dicarboxylate
CID 139492252
(1R,14S)-14-amino-1-ethyl-6-fluorotricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
CID 139492308
2-O-[(1R,9S,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 138672954
6-O-[(1R,9S,15S)-15-amino-11-[(1S,9R,14R)-14-amino-1-ethyl-6-fluoro-4-hydroxy-11-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trienyl]-6-fluoro-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] 1-O-[(1R,9S,15S)-15-amino-6-fluoro-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] hexanedioate
CID 145348448
[(1R,9S,15S)-15-amino-6-fluoro-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] 5-[5-[[(1R,9S,15S)-15-amino-6-fluoro-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]oxy]-5-oxopentoxy]pentanoate
CID 139492269
(1S,9S,15R)-15-amino-1-methyl-12-oxatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
CID 139492274
(1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
CID 70637689

Frequently Asked Questions

What is the IUPAC name of 15-amino-1-methyl-6-phenyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol?
The IUPAC name of 15-amino-1-methyl-6-phenyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol (CID 139492246) is 15-amino-1-methyl-6-phenyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol.
What is the SMILES notation for 15-amino-1-methyl-6-phenyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol?
The canonical SMILES for 15-amino-1-methyl-6-phenyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol is CC12CCCCCC(Cc3c(-c4ccccc4)cc(O)cc31)C2N.
What is the InChIKey of 15-amino-1-methyl-6-phenyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol?
The InChIKey is XRVAAOWCLNWTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-22-11-7-3-6-10-16(21(22)23)12-19-18(13-17(24)14-20(19)22)15-8-4-2-5-9-15/h2,4-5,8-9,13-14,16,21,24H,3,6-7,10-12,23H2,1H3.
What are the key properties of 15-amino-1-methyl-6-phenyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol?
15-amino-1-methyl-6-phenyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol has a molecular weight of 321.46 g/mol, XLogP of 4.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-amino-1-methyl-6-phenyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol is sourced from PubChem (CID 139492246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).