(6S)-2-(2-hydroxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol

C21H24N2O2 — CID 51695867

IUPAC(6S)-2-(2-hydroxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
SMILESCC12CN3CC(c4ccccc4)(CN(C1)C3c1ccccc1O)[C@H]2O
InChIInChI=1S/C21H24N2O2/c1-20-11-22-13-21(19(20)25,15-7-3-2-4-8-15)14-23(12-20)18(22)16-9-5-6-10-17(16)24/h2-10,18-19,24-25H,11-14H2,1H3/t18?,19-,20?,21?/m0/s1
InChIKeyTVCINLRBECBVSU-SAOGTBAESA-N
MW336.44 g/mol
LogP2.34
Rot. Bonds2

About (6S)-2-(2-hydroxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol

(6S)-2-(2-hydroxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol (PubChem CID 51695867) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (6S)-2-(2-hydroxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol.

Molecular Properties

Compound Name(6S)-2-(2-hydroxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
PubChem CID51695867
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(6S)-2-(2-hydroxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
SMILESCC12CN3CC(c4ccccc4)(CN(C1)C3c1ccccc1O)[C@H]2O
InChIInChI=1S/C21H24N2O2/c1-20-11-22-13-21(19(20)25,15-7-3-2-4-8-15)14-23(12-20)18(22)16-9-5-6-10-17(16)24/h2-10,18-19,24-25H,11-14H2,1H3/t18?,19-,20?,21?/m0/s1
InChIKeyTVCINLRBECBVSU-SAOGTBAESA-N
XLogP2.34
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

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CID 40635155
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CID 71963680
1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
CID 42582087
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
(1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol
CID 125481717
(1S,5S)-3-benzhydryl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
CID 6355846
3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol
CID 10728752
ethane;(1R,5S)-1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90850243
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90902808
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90822722
2-[2-(hydroxymethyl)-2-methylpiperidin-4-yl]phenol
CID 117258606
3-fluoro-1-methyl-3-phenylazetidine
CID 126996744

Frequently Asked Questions

What is the IUPAC name of (6S)-2-(2-hydroxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol?
The IUPAC name of (6S)-2-(2-hydroxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol (CID 51695867) is (6S)-2-(2-hydroxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol.
What is the SMILES notation for (6S)-2-(2-hydroxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol?
The canonical SMILES for (6S)-2-(2-hydroxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol is CC12CN3CC(c4ccccc4)(CN(C1)C3c1ccccc1O)[C@H]2O.
What is the InChIKey of (6S)-2-(2-hydroxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol?
The InChIKey is TVCINLRBECBVSU-SAOGTBAESA-N. The full InChI is InChI=1S/C21H24N2O2/c1-20-11-22-13-21(19(20)25,15-7-3-2-4-8-15)14-23(12-20)18(22)16-9-5-6-10-17(16)24/h2-10,18-19,24-25H,11-14H2,1H3/t18?,19-,20?,21?/m0/s1.
What are the key properties of (6S)-2-(2-hydroxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol?
(6S)-2-(2-hydroxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol has a molecular weight of 336.44 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(2-hydroxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol is sourced from PubChem (CID 51695867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).