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

C17H24FNO — CID 106881551

IUPACN-[(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
SMILESCCNC(c1c(C)cc(C)cc1F)C1CC2CCC1O2
InChIInChI=1S/C17H24FNO/c1-4-19-17(13-9-12-5-6-15(13)20-12)16-11(3)7-10(2)8-14(16)18/h7-8,12-13,15,17,19H,4-6,9H2,1-3H3
InChIKeyGJCNAZOOWPAXTA-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.66
Rot. Bonds4

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

N-[(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine (PubChem CID 106881551) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is N-[(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
PubChem CID106881551
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC NameN-[(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
SMILESCCNC(c1c(C)cc(C)cc1F)C1CC2CCC1O2
InChIInChI=1S/C17H24FNO/c1-4-19-17(13-9-12-5-6-15(13)20-12)16-11(3)7-10(2)8-14(16)18/h7-8,12-13,15,17,19H,4-6,9H2,1-3H3
InChIKeyGJCNAZOOWPAXTA-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine with MolForge

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Related Compounds

(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 106881549
N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
CID 114728732
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 79705419
N-[(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881886
N-[(4-bromo-3-chloro-2-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
CID 106762534
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107884732
N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 64990064
N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881354
N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-6-yl)methyl]ethanamine
CID 81228401
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 115983778
[(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine
CID 107516382
3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106883936

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine (CID 106881551) is N-[(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine is CCNC(c1c(C)cc(C)cc1F)C1CC2CCC1O2.
What is the InChIKey of N-[(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine?
The InChIKey is GJCNAZOOWPAXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-4-19-17(13-9-12-5-6-15(13)20-12)16-11(3)7-10(2)8-14(16)18/h7-8,12-13,15,17,19H,4-6,9H2,1-3H3.
What are the key properties of N-[(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine?
N-[(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine has a molecular weight of 277.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine is sourced from PubChem (CID 106881551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).