1-cyclopropyl-1-[2-(trifluoromethoxy)phenyl]ethanamine

C12H14F3NO — CID 115002546

IUPAC1-cyclopropyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCC(N)(c1ccccc1OC(F)(F)F)C1CC1
InChIInChI=1S/C12H14F3NO/c1-11(16,8-6-7-8)9-4-2-3-5-10(9)17-12(13,14)15/h2-5,8H,6-7,16H2,1H3
InChIKeyAYQQYLBBQIVHCA-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.17
Rot. Bonds3

About 1-cyclopropyl-1-[2-(trifluoromethoxy)phenyl]ethanamine

1-cyclopropyl-1-[2-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 115002546) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-cyclopropyl-1-[2-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
PubChem CID115002546
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name1-cyclopropyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCC(N)(c1ccccc1OC(F)(F)F)C1CC1
InChIInChI=1S/C12H14F3NO/c1-11(16,8-6-7-8)9-4-2-3-5-10(9)17-12(13,14)15/h2-5,8H,6-7,16H2,1H3
InChIKeyAYQQYLBBQIVHCA-UHFFFAOYSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-1-(2-methoxyphenyl)ethanamine
CID 82932355
1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 114794872
3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol
CID 113302790
1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 62787433
1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene
CID 118334273
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
dicyclopentyl-[2-(trifluoromethoxy)phenyl]phosphane
CID 118057535
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
O-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride
CID 162421871
2-(trifluoromethoxy)aniline;dihydrochloride
CID 69022411
4-[2-(trifluoromethoxy)phenyl]heptan-4-ol
CID 114866167

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 1-cyclopropyl-1-[2-(trifluoromethoxy)phenyl]ethanamine (CID 115002546) is 1-cyclopropyl-1-[2-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-1-[2-(trifluoromethoxy)phenyl]ethanamine is CC(N)(c1ccccc1OC(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is AYQQYLBBQIVHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-11(16,8-6-7-8)9-4-2-3-5-10(9)17-12(13,14)15/h2-5,8H,6-7,16H2,1H3.
What are the key properties of 1-cyclopropyl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
1-cyclopropyl-1-[2-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 245.24 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[2-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 115002546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).