(2,2-dimethylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanamine

C13H16F3NO — CID 107004373

IUPAC(2,2-dimethylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCC1(C)CC1C(N)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-12(2)7-9(12)11(17)8-5-3-4-6-10(8)18-13(14,15)16/h3-6,9,11H,7,17H2,1-2H3
InChIKeyUXVSUDDFNSGNGE-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.63
Rot. Bonds3

About (2,2-dimethylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanamine

(2,2-dimethylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 107004373) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanamine
PubChem CID107004373
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name(2,2-dimethylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCC1(C)CC1C(N)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-12(2)7-9(12)11(17)8-5-3-4-6-10(8)18-13(14,15)16/h3-6,9,11H,7,17H2,1-2H3
InChIKeyUXVSUDDFNSGNGE-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine
CID 107000919
(1S)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171249788
(1R)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171243055
[2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053018
2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 61054424
methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate
CID 60795431
2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116719687
(2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623421
2,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropan-1-amine
CID 61221925
(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride
CID 171208551
(1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171160319
2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 115850794

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (2,2-dimethylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanamine (CID 107004373) is (2,2-dimethylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (2,2-dimethylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanamine is CC1(C)CC1C(N)c1ccccc1OC(F)(F)F.
What is the InChIKey of (2,2-dimethylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is UXVSUDDFNSGNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-12(2)7-9(12)11(17)8-5-3-4-6-10(8)18-13(14,15)16/h3-6,9,11H,7,17H2,1-2H3.
What are the key properties of (2,2-dimethylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanamine?
(2,2-dimethylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 259.27 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 107004373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).