1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine

C15H18F3NO — CID 115850777

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1ccccc1OC(F)(F)F)C1C2CCCC21
InChIInChI=1S/C15H18F3NO/c1-19-14(13-9-6-4-7-10(9)13)11-5-2-3-8-12(11)20-15(16,17)18/h2-3,5,8-10,13-14,19H,4,6-7H2,1H3
InChIKeyHYTSVQQBQQTPPW-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.89
Rot. Bonds4

About 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine

1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 115850777) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
PubChem CID115850777
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1ccccc1OC(F)(F)F)C1C2CCCC21
InChIInChI=1S/C15H18F3NO/c1-19-14(13-9-6-4-7-10(9)13)11-5-2-3-8-12(11)20-15(16,17)18/h2-3,5,8-10,13-14,19H,4,6-7H2,1H3
InChIKeyHYTSVQQBQQTPPW-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
CID 105052166
N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 115386818
1-cyclobutyl-1-(2-methoxyphenyl)-N-methylmethanamine
CID 64986514
N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine
CID 115853710
N-methyl-1-(4-methylmorpholin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 79094970
N-[6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792664
N-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
CID 105035932
2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 79492226
1-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 63084391
1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115708068
cyclohexyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62790469
1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 80626263

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine (CID 115850777) is 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine is CNC(c1ccccc1OC(F)(F)F)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is HYTSVQQBQQTPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-19-14(13-9-6-4-7-10(9)13)11-5-2-3-8-12(11)20-15(16,17)18/h2-3,5,8-10,13-14,19H,4,6-7H2,1H3.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine?
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 285.31 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 115850777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).