(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine

C15H20FNO — CID 106881549

IUPAC(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
SMILESCc1cc(C)c(C(N)C2CC3CCC2O3)c(F)c1
InChIInChI=1S/C15H20FNO/c1-8-5-9(2)14(12(16)6-8)15(17)11-7-10-3-4-13(11)18-10/h5-6,10-11,13,15H,3-4,7,17H2,1-2H3
InChIKeyOZAGIZLTZWWHHY-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.01
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine

(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine (PubChem CID 106881549) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
PubChem CID106881549
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
SMILESCc1cc(C)c(C(N)C2CC3CCC2O3)c(F)c1
InChIInChI=1S/C15H20FNO/c1-8-5-9(2)14(12(16)6-8)15(17)11-7-10-3-4-13(11)18-10/h5-6,10-11,13,15H,3-4,7,17H2,1-2H3
InChIKeyOZAGIZLTZWWHHY-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
CID 106881551
(2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine
CID 106881667
(3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881656
(4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881648
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 79705419
1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883666
(1,1-dioxothian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883860
(2-fluoro-4,6-dimethylphenyl)-(1,4-oxathian-2-yl)methanamine
CID 106881803
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883395
[(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine
CID 107516382
1-adamantyl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881477
(1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881778

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine (CID 106881549) is (2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine is Cc1cc(C)c(C(N)C2CC3CCC2O3)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
The InChIKey is OZAGIZLTZWWHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-8-5-9(2)14(12(16)6-8)15(17)11-7-10-3-4-13(11)18-10/h5-6,10-11,13,15H,3-4,7,17H2,1-2H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine has a molecular weight of 249.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine is sourced from PubChem (CID 106881549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).