N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline

C11H12F3NO — CID 43560291

IUPACN-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
SMILESFC(F)(F)Oc1ccccc1NCC1CC1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)16-10-4-2-1-3-9(10)15-7-8-5-6-8/h1-4,8,15H,5-7H2
InChIKeyUTQYNBKEJYSIBY-UHFFFAOYSA-N
MW231.22 g/mol
LogP3.41
Rot. Bonds4

About N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline

N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline (PubChem CID 43560291) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
PubChem CID43560291
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC NameN-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
SMILESFC(F)(F)Oc1ccccc1NCC1CC1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)16-10-4-2-1-3-9(10)15-7-8-5-6-8/h1-4,8,15H,5-7H2
InChIKeyUTQYNBKEJYSIBY-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 28577768
N-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethoxy)aniline
CID 82833774
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline
CID 113489688
4-bromo-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethoxy)aniline
CID 103192846
4-bromo-N-(cyclopentylmethyl)-2-(trifluoromethoxy)aniline
CID 103192838
1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene
CID 91212316
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348
N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 29300715
1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 22675955
N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline
CID 60874127
methyl 2-[2-(trifluoromethoxy)anilino]acetate
CID 28577783

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline?
The IUPAC name of N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline (CID 43560291) is N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline?
The canonical SMILES for N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline is FC(F)(F)Oc1ccccc1NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline?
The InChIKey is UTQYNBKEJYSIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)16-10-4-2-1-3-9(10)15-7-8-5-6-8/h1-4,8,15H,5-7H2.
What are the key properties of N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline?
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline has a molecular weight of 231.22 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 43560291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).