N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline

C13H16F3NO — CID 113489688

IUPACN-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline
SMILESCC(CC1CC1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-9(8-10-6-7-10)17-11-4-2-3-5-12(11)18-13(14,15)16/h2-5,9-10,17H,6-8H2,1H3
InChIKeyCAGHNJDFLHKNPF-UHFFFAOYSA-N
MW259.27 g/mol
LogP4.19
Rot. Bonds5

About N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline

N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline (PubChem CID 113489688) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline
PubChem CID113489688
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline
SMILESCC(CC1CC1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-9(8-10-6-7-10)17-11-4-2-3-5-12(11)18-13(14,15)16/h2-5,9-10,17H,6-8H2,1H3
InChIKeyCAGHNJDFLHKNPF-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-2-propan-2-yloxyaniline
CID 115920688
N-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline
CID 115920665
N-(1-cyclopropylpropyl)-2-(trifluoromethoxy)aniline
CID 64920294
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide
CID 115929140
N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline
CID 107447794
N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethoxy)aniline
CID 43111586
2-tert-butyl-N-(1-cyclobutylpropan-2-yl)aniline
CID 113489744
N-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline
CID 43105351
2-[2-(trifluoromethoxy)anilino]butanoic acid
CID 64668144
N-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide
CID 43089308
N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 28577768

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline (CID 113489688) is N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline is CC(CC1CC1)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline?
The InChIKey is CAGHNJDFLHKNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-9(8-10-6-7-10)17-11-4-2-3-5-12(11)18-13(14,15)16/h2-5,9-10,17H,6-8H2,1H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline?
N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline has a molecular weight of 259.27 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 113489688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).