N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine

C17H25NO — CID 64990064

IUPACN-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
SMILESCNC(c1cc(C)c(C)cc1C)C1CC2CCC1O2
InChIInChI=1S/C17H25NO/c1-10-7-12(3)14(8-11(10)2)17(18-4)15-9-13-5-6-16(15)19-13/h7-8,13,15-18H,5-6,9H2,1-4H3
InChIKeyDHEXZHPPKFCOCL-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.44
Rot. Bonds3

About N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine

N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine (PubChem CID 64990064) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
PubChem CID64990064
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
SMILESCNC(c1cc(C)c(C)cc1C)C1CC2CCC1O2
InChIInChI=1S/C17H25NO/c1-10-7-12(3)14(8-11(10)2)17(18-4)15-9-13-5-6-16(15)19-13/h7-8,13,15-18H,5-6,9H2,1-4H3
InChIKeyDHEXZHPPKFCOCL-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine (CID 64990064) is N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine is CNC(c1cc(C)c(C)cc1C)C1CC2CCC1O2.
What is the InChIKey of N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is DHEXZHPPKFCOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-10-7-12(3)14(8-11(10)2)17(18-4)15-9-13-5-6-16(15)19-13/h7-8,13,15-18H,5-6,9H2,1-4H3.
What are the key properties of N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine?
N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 259.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 64990064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).