6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane

C14H19NO2 — CID 19963625

IUPAC6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane
SMILESCOc1ccc(C2CC3CNCC32)cc1OC
InChIInChI=1S/C14H19NO2/c1-16-13-4-3-9(6-14(13)17-2)11-5-10-7-15-8-12(10)11/h3-4,6,10-12,15H,5,7-8H2,1-2H3
InChIKeyHBOUZUMTWBKXSO-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.03
Rot. Bonds3

About 6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane

6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane (PubChem CID 19963625) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane
PubChem CID19963625
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane
SMILESCOc1ccc(C2CC3CNCC32)cc1OC
InChIInChI=1S/C14H19NO2/c1-16-13-4-3-9(6-14(13)17-2)11-5-10-7-15-8-12(10)11/h3-4,6,10-12,15H,5,7-8H2,1-2H3
InChIKeyHBOUZUMTWBKXSO-UHFFFAOYSA-N
XLogP2.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane with MolForge

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Related Compounds

3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
(1S,5S,6R)-6-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane
CID 124583210
6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane
CID 19963580
[4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine
CID 82621037
(1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane
CID 11298447
(3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine
CID 139798871
(1R)-1-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanol
CID 28912472
(4S)-4-(3,4-dimethoxyphenyl)-3,3-dimethylpyrrolidine
CID 129407376
2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde
CID 22347501
2-(3,4-dimethoxyphenyl)-6-methyl-1,4-oxazepane
CID 65035548
(1R)-1-[(1S,2S)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanamine
CID 28912479

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane (CID 19963625) is 6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane is COc1ccc(C2CC3CNCC32)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane?
The InChIKey is HBOUZUMTWBKXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-16-13-4-3-9(6-14(13)17-2)11-5-10-7-15-8-12(10)11/h3-4,6,10-12,15H,5,7-8H2,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane?
6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane has a molecular weight of 233.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 19963625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).