[3-(3-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine

C14H19NO2 — CID 117194142

IUPAC[3-(3-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESCOc1cccc(C2C3CCC(O3)C2CN)c1
InChIInChI=1S/C14H19NO2/c1-16-10-4-2-3-9(7-10)14-11(8-15)12-5-6-13(14)17-12/h2-4,7,11-14H,5-6,8,15H2,1H3
InChIKeyAOTLVLLDQOFRFN-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.91
Rot. Bonds3

About [3-(3-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine

[3-(3-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (PubChem CID 117194142) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
PubChem CID117194142
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[3-(3-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESCOc1cccc(C2C3CCC(O3)C2CN)c1
InChIInChI=1S/C14H19NO2/c1-16-10-4-2-3-9(7-10)14-11(8-15)12-5-6-13(14)17-12/h2-4,7,11-14H,5-6,8,15H2,1H3
InChIKeyAOTLVLLDQOFRFN-UHFFFAOYSA-N
XLogP1.91
TPSA44.48 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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(3-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine 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

1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
[2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 10443420
3-(3-methoxyphenyl)oxetane
CID 130113867
[5-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115061541
1-methoxy-3-(3-methylidenecyclobutyl)benzene
CID 156818546
[5-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine
CID 105458828
[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]methanamine;N-methylmethanamine
CID 69422945
(1R,4R,6S)-4-(3-methoxyphenyl)-3,7-dioxabicyclo[4.1.0]heptane
CID 100945526
(2R)-2-(3-methoxyphenyl)oxirane
CID 22882163
[4-tert-butyl-2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 81012051

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The IUPAC name of [3-(3-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (CID 117194142) is [3-(3-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.
What is the SMILES notation for [3-(3-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The canonical SMILES for [3-(3-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is COc1cccc(C2C3CCC(O3)C2CN)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The InChIKey is AOTLVLLDQOFRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-16-10-4-2-3-9(7-10)14-11(8-15)12-5-6-13(14)17-12/h2-4,7,11-14H,5-6,8,15H2,1H3.
What are the key properties of [3-(3-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
[3-(3-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine has a molecular weight of 233.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is sourced from PubChem (CID 117194142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).