(6R,9R)-N,N,3-trimethyl-9-phenoxy-3-azabicyclo[3.3.1]nonan-6-amine

C17H26N2O — CID 22839614

IUPAC(6R,9R)-N,N,3-trimethyl-9-phenoxy-3-azabicyclo[3.3.1]nonan-6-amine
SMILESCN1CC2CC[C@@H](N(C)C)C(C1)[C@@H]2Oc1ccccc1
InChIInChI=1S/C17H26N2O/c1-18(2)16-10-9-13-11-19(3)12-15(16)17(13)20-14-7-5-4-6-8-14/h4-8,13,15-17H,9-12H2,1-3H3/t13?,15?,16-,17-/m1/s1
InChIKeyRSYUYTAYMRNTFS-OKEQZYBDSA-N
MW274.41 g/mol
LogP2.34
Rot. Bonds3

About (6R,9R)-N,N,3-trimethyl-9-phenoxy-3-azabicyclo[3.3.1]nonan-6-amine

(6R,9R)-N,N,3-trimethyl-9-phenoxy-3-azabicyclo[3.3.1]nonan-6-amine (PubChem CID 22839614) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (6R,9R)-N,N,3-trimethyl-9-phenoxy-3-azabicyclo[3.3.1]nonan-6-amine.

Molecular Properties

Compound Name(6R,9R)-N,N,3-trimethyl-9-phenoxy-3-azabicyclo[3.3.1]nonan-6-amine
PubChem CID22839614
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(6R,9R)-N,N,3-trimethyl-9-phenoxy-3-azabicyclo[3.3.1]nonan-6-amine
SMILESCN1CC2CC[C@@H](N(C)C)C(C1)[C@@H]2Oc1ccccc1
InChIInChI=1S/C17H26N2O/c1-18(2)16-10-9-13-11-19(3)12-15(16)17(13)20-14-7-5-4-6-8-14/h4-8,13,15-17H,9-12H2,1-3H3/t13?,15?,16-,17-/m1/s1
InChIKeyRSYUYTAYMRNTFS-OKEQZYBDSA-N
XLogP2.34
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6R,9R)-N,N,3-trimethyl-9-phenoxy-3-azabicyclo[3.3.1]nonan-6-amine with MolForge

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Related Compounds

(6S,9R)-N,N,3-trimethyl-9-[3-(trifluoromethyl)phenoxy]-3-azabicyclo[3.3.1]nonan-6-amine
CID 22839564
(6R,9R)-N,N,3-trimethyl-9-[3-(trifluoromethyl)phenoxy]-3-azabicyclo[3.3.1]nonan-6-amine
CID 22839609
4-(4-Fluoro-2-propan-2-yloxyphenyl)-1-(4-propan-2-ylcyclohexyl)piperidine
CID 143297720
(3R,4R)-1-methyl-3-(phenoxymethyl)-4-phenylpiperidine
CID 3041439
N,N,3-trimethyl-9-[3-(trifluoromethyl)phenoxy]-3-azabicyclo[3.3.1]nonan-6-amine
CID 21293391
3-[[2-(2-Cyclohexylethyl)phenoxy]methyl]-1-ethylpiperidine
CID 90679826
1-Cyclohexyl-4-[2-(4-fluorophenoxy)ethyl]-2-methylpiperidine
CID 174360074
1-[4-[2-(4-Fluorophenoxy)ethyl]cyclohexyl]-2-methylpiperidine
CID 174360076
1-Methyl-3-[[2-(4-phenylbutyl)phenoxy]methyl]piperidine
CID 9999448
3-[[2-(2-Cyclohexylethyl)phenoxy]methyl]-1-methylpiperidine
CID 12376094
3,7-Dimethyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane
CID 14367989
3-Ethyl-7-methyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane
CID 14367999

Frequently Asked Questions

What is the IUPAC name of (6R,9R)-N,N,3-trimethyl-9-phenoxy-3-azabicyclo[3.3.1]nonan-6-amine?
The IUPAC name of (6R,9R)-N,N,3-trimethyl-9-phenoxy-3-azabicyclo[3.3.1]nonan-6-amine (CID 22839614) is (6R,9R)-N,N,3-trimethyl-9-phenoxy-3-azabicyclo[3.3.1]nonan-6-amine.
What is the SMILES notation for (6R,9R)-N,N,3-trimethyl-9-phenoxy-3-azabicyclo[3.3.1]nonan-6-amine?
The canonical SMILES for (6R,9R)-N,N,3-trimethyl-9-phenoxy-3-azabicyclo[3.3.1]nonan-6-amine is CN1CC2CC[C@@H](N(C)C)C(C1)[C@@H]2Oc1ccccc1.
What is the InChIKey of (6R,9R)-N,N,3-trimethyl-9-phenoxy-3-azabicyclo[3.3.1]nonan-6-amine?
The InChIKey is RSYUYTAYMRNTFS-OKEQZYBDSA-N. The full InChI is InChI=1S/C17H26N2O/c1-18(2)16-10-9-13-11-19(3)12-15(16)17(13)20-14-7-5-4-6-8-14/h4-8,13,15-17H,9-12H2,1-3H3/t13?,15?,16-,17-/m1/s1.
What are the key properties of (6R,9R)-N,N,3-trimethyl-9-phenoxy-3-azabicyclo[3.3.1]nonan-6-amine?
(6R,9R)-N,N,3-trimethyl-9-phenoxy-3-azabicyclo[3.3.1]nonan-6-amine has a molecular weight of 274.41 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,9R)-N,N,3-trimethyl-9-phenoxy-3-azabicyclo[3.3.1]nonan-6-amine is sourced from PubChem (CID 22839614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).