(8R)-9-benzyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-5-ol

C19H21NO — CID 146498040

IUPAC(8R)-9-benzyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-5-ol
SMILESOc1ccc2c(c1)[C@H]1CC2CCCN1Cc1ccccc1
InChIInChI=1S/C19H21NO/c21-16-8-9-17-15-7-4-10-20(19(11-15)18(17)12-16)13-14-5-2-1-3-6-14/h1-3,5-6,8-9,12,15,19,21H,4,7,10-11,13H2/t15?,19-/m1/s1
InChIKeyFRJWWNRFFVLGNV-XCWJXAQQSA-N
MW279.38 g/mol
LogP4.22
Rot. Bonds2

About (8R)-9-benzyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-5-ol

(8R)-9-benzyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-5-ol (PubChem CID 146498040) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (8R)-9-benzyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-5-ol.

Molecular Properties

Compound Name(8R)-9-benzyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-5-ol
PubChem CID146498040
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(8R)-9-benzyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-5-ol
SMILESOc1ccc2c(c1)[C@H]1CC2CCCN1Cc1ccccc1
InChIInChI=1S/C19H21NO/c21-16-8-9-17-15-7-4-10-20(19(11-15)18(17)12-16)13-14-5-2-1-3-6-14/h1-3,5-6,8-9,12,15,19,21H,4,7,10-11,13H2/t15?,19-/m1/s1
InChIKeyFRJWWNRFFVLGNV-XCWJXAQQSA-N
XLogP4.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (8R)-9-benzyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-5-ol with MolForge

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Related Compounds

(8R)-9-benzyl-5-chloro-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene
CID 146199988
(1S)-5-chloro-9-(pyridin-3-ylmethyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene
CID 146199989
[4-[[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 150173425
(2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine
CID 124500714
3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol
CID 15293226
(2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 129392844
9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride
CID 3059561
1-(aminomethyl)-2-benzyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 139617023
5-chloro-9-[(4-methoxyphenyl)methyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 44825921
2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol
CID 82974669
(1-benzylpyrrolidin-2-yl)methanediol;hydrochloride
CID 22235333
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
CID 82979279

Frequently Asked Questions

What is the IUPAC name of (8R)-9-benzyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-5-ol?
The IUPAC name of (8R)-9-benzyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-5-ol (CID 146498040) is (8R)-9-benzyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-5-ol.
What is the SMILES notation for (8R)-9-benzyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-5-ol?
The canonical SMILES for (8R)-9-benzyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-5-ol is Oc1ccc2c(c1)[C@H]1CC2CCCN1Cc1ccccc1.
What is the InChIKey of (8R)-9-benzyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-5-ol?
The InChIKey is FRJWWNRFFVLGNV-XCWJXAQQSA-N. The full InChI is InChI=1S/C19H21NO/c21-16-8-9-17-15-7-4-10-20(19(11-15)18(17)12-16)13-14-5-2-1-3-6-14/h1-3,5-6,8-9,12,15,19,21H,4,7,10-11,13H2/t15?,19-/m1/s1.
What are the key properties of (8R)-9-benzyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-5-ol?
(8R)-9-benzyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-5-ol has a molecular weight of 279.38 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-9-benzyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-5-ol is sourced from PubChem (CID 146498040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).