N-(3-fluoro-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C15H20FNO — CID 79054635

IUPACN-(3-fluoro-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCc1cc(F)cc(NC2C3CCOC3C2(C)C)c1
InChIInChI=1S/C15H20FNO/c1-9-6-10(16)8-11(7-9)17-13-12-4-5-18-14(12)15(13,2)3/h6-8,12-14,17H,4-5H2,1-3H3
InChIKeyPICIPWVDZOMTBA-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.36
Rot. Bonds2

About N-(3-fluoro-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

N-(3-fluoro-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 79054635) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID79054635
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC NameN-(3-fluoro-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCc1cc(F)cc(NC2C3CCOC3C2(C)C)c1
InChIInChI=1S/C15H20FNO/c1-9-6-10(16)8-11(7-9)17-13-12-4-5-18-14(12)15(13,2)3/h6-8,12-14,17H,4-5H2,1-3H3
InChIKeyPICIPWVDZOMTBA-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-fluoro-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of N-(3-fluoro-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 79054635) is N-(3-fluoro-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is Cc1cc(F)cc(NC2C3CCOC3C2(C)C)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is PICIPWVDZOMTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-9-6-10(16)8-11(7-9)17-13-12-4-5-18-14(12)15(13,2)3/h6-8,12-14,17H,4-5H2,1-3H3.
What are the key properties of N-(3-fluoro-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
N-(3-fluoro-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 249.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 79054635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).