1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine

C15H20FNO — CID 79705419

IUPAC1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
SMILESCNC(c1cc(C)cc(F)c1)C1CC2CCC1O2
InChIInChI=1S/C15H20FNO/c1-9-5-10(7-11(16)6-9)15(17-2)13-8-12-3-4-14(13)18-12/h5-7,12-15,17H,3-4,8H2,1-2H3
InChIKeySEXJNJRWTKKERL-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.96
Rot. Bonds3

About 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine

1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine (PubChem CID 79705419) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
PubChem CID79705419
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
SMILESCNC(c1cc(C)cc(F)c1)C1CC2CCC1O2
InChIInChI=1S/C15H20FNO/c1-9-5-10(7-11(16)6-9)15(17-2)13-8-12-3-4-14(13)18-12/h5-7,12-15,17H,3-4,8H2,1-2H3
InChIKeySEXJNJRWTKKERL-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-5-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 79704372
N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 64990064
1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79705578
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 79703603
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 114728721
N-[(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
CID 106881551
1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016349
1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 114728720
(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 106881549
1-(3-chlorothiophen-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 107359746
[(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine
CID 107516382
N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
CID 114728732

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine (CID 79705419) is 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine is CNC(c1cc(C)cc(F)c1)C1CC2CCC1O2.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
The InChIKey is SEXJNJRWTKKERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-9-5-10(7-11(16)6-9)15(17-2)13-8-12-3-4-14(13)18-12/h5-7,12-15,17H,3-4,8H2,1-2H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine has a molecular weight of 249.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine is sourced from PubChem (CID 79705419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).