9-[(3,4,5-trimethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonane

C18H27NO3 — CID 129191839

IUPAC9-[(3,4,5-trimethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonane
SMILESCOc1cc(CN2C3CCCC2CCC3)cc(OC)c1OC
InChIInChI=1S/C18H27NO3/c1-20-16-10-13(11-17(21-2)18(16)22-3)12-19-14-6-4-7-15(19)9-5-8-14/h10-11,14-15H,4-9,12H2,1-3H3
InChIKeyQQHGLBIWIOTPFM-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.62
Rot. Bonds5

About 9-[(3,4,5-trimethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonane

9-[(3,4,5-trimethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonane (PubChem CID 129191839) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 9-[(3,4,5-trimethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-[(3,4,5-trimethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonane
PubChem CID129191839
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name9-[(3,4,5-trimethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonane
SMILESCOc1cc(CN2C3CCCC2CCC3)cc(OC)c1OC
InChIInChI=1S/C18H27NO3/c1-20-16-10-13(11-17(21-2)18(16)22-3)12-19-14-6-4-7-15(19)9-5-8-14/h10-11,14-15H,4-9,12H2,1-3H3
InChIKeyQQHGLBIWIOTPFM-UHFFFAOYSA-N
XLogP3.62
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[(3,4,5-trimethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45224960
1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol
CID 2838185
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
(2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine
CID 755065
1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 2874283
(3S,8aS)-3-benzyl-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 16677876
(9aR)-2-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 97157855
3-methyl-5-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95079360
(3R)-3-[(3-methoxyphenoxy)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptane
CID 46956369
oxalic acid;1-[(3,4,5-trimethoxyphenyl)methyl]azepane
CID 23724185
6-[(3,4,5-trimethoxyphenyl)methyl]-6-azaspiro[3.4]octane
CID 97159672
4-nitro-1,2-bis[(3,4,5-trimethoxyphenyl)methyl]pyrazolidine
CID 20519809

Frequently Asked Questions

What is the IUPAC name of 9-[(3,4,5-trimethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 9-[(3,4,5-trimethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonane (CID 129191839) is 9-[(3,4,5-trimethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-[(3,4,5-trimethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 9-[(3,4,5-trimethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonane is COc1cc(CN2C3CCCC2CCC3)cc(OC)c1OC.
What is the InChIKey of 9-[(3,4,5-trimethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonane?
The InChIKey is QQHGLBIWIOTPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-20-16-10-13(11-17(21-2)18(16)22-3)12-19-14-6-4-7-15(19)9-5-8-14/h10-11,14-15H,4-9,12H2,1-3H3.
What are the key properties of 9-[(3,4,5-trimethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonane?
9-[(3,4,5-trimethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonane has a molecular weight of 305.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3,4,5-trimethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 129191839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).