(1R,5S)-3-(3,4-dichlorophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane

C15H19Cl2NO — CID 11616396

IUPAC(1R,5S)-3-(3,4-dichlorophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane
SMILESCN1[C@@H]2CCC[C@H]1CC(Oc1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C15H19Cl2NO/c1-18-10-3-2-4-11(18)8-13(7-10)19-12-5-6-14(16)15(17)9-12/h5-6,9-11,13H,2-4,7-8H2,1H3/t10-,11+,13?
InChIKeyWCZPEYBNUDTXAI-QYJAPNMZSA-N
MW300.23 g/mol
LogP4.39
Rot. Bonds2

About (1R,5S)-3-(3,4-dichlorophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane

(1R,5S)-3-(3,4-dichlorophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane (PubChem CID 11616396) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is (1R,5S)-3-(3,4-dichlorophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1R,5S)-3-(3,4-dichlorophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane
PubChem CID11616396
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name(1R,5S)-3-(3,4-dichlorophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane
SMILESCN1[C@@H]2CCC[C@H]1CC(Oc1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C15H19Cl2NO/c1-18-10-3-2-4-11(18)8-13(7-10)19-12-5-6-14(16)15(17)9-12/h5-6,9-11,13H,2-4,7-8H2,1H3/t10-,11+,13?
InChIKeyWCZPEYBNUDTXAI-QYJAPNMZSA-N
XLogP4.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5R)-3-(4-chloro-3-fluorophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane
CID 68861426
(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane
CID 66933157
1-chloro-4-cyclopentyloxy-2-propan-2-ylbenzene
CID 118404641
(1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane
CID 21116177
(E)-but-2-enedioic acid;3-[4-chloro-3-(trifluoromethyl)phenoxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 66932882
N-benzyl-3-(3,4-dichlorophenoxy)-8-azabicyclo[3.2.1]octan-8-amine
CID 67329320
3-[(3-chloro-4H-chromen-7-yl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 141183919
2-chloro-4-cyclobutyloxy-1-methoxybenzene
CID 130057041
(1R,5S)-8-methyl-3-(3-methyl-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane
CID 68939464
3-(3-bromophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane;2,2,2-trifluoroacetic acid
CID 66840236
4-methyl-6-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]chromen-2-one
CID 11536732
2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethanesulfonyl chloride
CID 87826645

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(3,4-dichlorophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane?
The IUPAC name of (1R,5S)-3-(3,4-dichlorophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane (CID 11616396) is (1R,5S)-3-(3,4-dichlorophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (1R,5S)-3-(3,4-dichlorophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for (1R,5S)-3-(3,4-dichlorophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane is CN1[C@@H]2CCC[C@H]1CC(Oc1ccc(Cl)c(Cl)c1)C2.
What is the InChIKey of (1R,5S)-3-(3,4-dichlorophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane?
The InChIKey is WCZPEYBNUDTXAI-QYJAPNMZSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-18-10-3-2-4-11(18)8-13(7-10)19-12-5-6-14(16)15(17)9-12/h5-6,9-11,13H,2-4,7-8H2,1H3/t10-,11+,13?.
What are the key properties of (1R,5S)-3-(3,4-dichlorophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane?
(1R,5S)-3-(3,4-dichlorophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane has a molecular weight of 300.23 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(3,4-dichlorophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 11616396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).