[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluoro-3-methylphenyl)methanol

C15H20FNO2 — CID 79137609

IUPAC[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)C2(CN)CC3CCC2O3)ccc1F
InChIInChI=1S/C15H20FNO2/c1-9-6-10(2-4-12(9)16)14(18)15(8-17)7-11-3-5-13(15)19-11/h2,4,6,11,13-14,18H,3,5,7-8,17H2,1H3
InChIKeyIGWRDEWYBPUKCH-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.06
Rot. Bonds3

About [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluoro-3-methylphenyl)methanol

[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluoro-3-methylphenyl)methanol (PubChem CID 79137609) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluoro-3-methylphenyl)methanol
PubChem CID79137609
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)C2(CN)CC3CCC2O3)ccc1F
InChIInChI=1S/C15H20FNO2/c1-9-6-10(2-4-12(9)16)14(18)15(8-17)7-11-3-5-13(15)19-11/h2,4,6,11,13-14,18H,3,5,7-8,17H2,1H3
InChIKeyIGWRDEWYBPUKCH-UHFFFAOYSA-N
XLogP2.06
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluoro-3-methylphenyl)methanol 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-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3,4-difluorophenyl)methanol
CID 79137859
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3,5-difluorophenyl)methanol
CID 106534512
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(5-bromo-2-fluorophenyl)methanol
CID 79138626
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3,5-dichlorophenyl)methanol
CID 79138572
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3-chloro-2-fluorophenyl)methanol
CID 114489214
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol
CID 79138278
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol
CID 103573535
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-methoxyphenyl)methanol
CID 104819070
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(5-chloro-1-methylimidazol-2-yl)methanol
CID 114239544
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-methylcyclohexyl)methanol
CID 79124646
methyl 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-hydroxyacetate
CID 79124240
(1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol
CID 171267876

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluoro-3-methylphenyl)methanol?
The IUPAC name of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluoro-3-methylphenyl)methanol (CID 79137609) is [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluoro-3-methylphenyl)methanol?
The canonical SMILES for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluoro-3-methylphenyl)methanol is Cc1cc(C(O)C2(CN)CC3CCC2O3)ccc1F.
What is the InChIKey of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluoro-3-methylphenyl)methanol?
The InChIKey is IGWRDEWYBPUKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-9-6-10(2-4-12(9)16)14(18)15(8-17)7-11-3-5-13(15)19-11/h2,4,6,11,13-14,18H,3,5,7-8,17H2,1H3.
What are the key properties of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluoro-3-methylphenyl)methanol?
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluoro-3-methylphenyl)methanol has a molecular weight of 265.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 79137609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).