N-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline

C13H16F3NO — CID 65046957

IUPACN-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline
SMILESCC1CCCC1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO/c1-9-3-2-4-12(9)17-10-5-7-11(8-6-10)18-13(14,15)16/h5-9,12,17H,2-4H2,1H3
InChIKeyXHXGGWJBISLICX-UHFFFAOYSA-N
MW259.27 g/mol
LogP4.19
Rot. Bonds3

About N-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline

N-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline (PubChem CID 65046957) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline
PubChem CID65046957
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline
SMILESCC1CCCC1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO/c1-9-3-2-4-12(9)17-10-5-7-11(8-6-10)18-13(14,15)16/h5-9,12,17H,2-4H2,1H3
InChIKeyXHXGGWJBISLICX-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-2-[4-(trifluoromethoxy)anilino]cyclopentan-1-ol
CID 102732976
(3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
CID 170208323
4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923123
2-[4-(trifluoromethoxy)anilino]cyclohexane-1-carbonitrile
CID 62742030
N-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline
CID 64593461
4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclopentyl)aniline
CID 65046094
N-(2-methylcyclopentyl)pyridin-4-amine
CID 63281266
N-(4-propan-2-ylcyclohexyl)-4-(trifluoromethoxy)aniline
CID 63422574
2-[4-[(2-methylcyclohexyl)amino]phenoxy]acetonitrile
CID 43203268
N-[4-(trifluoromethoxy)phenyl]thian-4-amine
CID 43511277
N-(2-methylcyclohexyl)-4-phenylaniline
CID 43716847
N-(4,4-difluorocyclohexyl)-4-(trifluoromethoxy)aniline
CID 177312690

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline?
The IUPAC name of N-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline (CID 65046957) is N-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline.
What is the SMILES notation for N-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline?
The canonical SMILES for N-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline is CC1CCCC1Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline?
The InChIKey is XHXGGWJBISLICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-9-3-2-4-12(9)17-10-5-7-11(8-6-10)18-13(14,15)16/h5-9,12,17H,2-4H2,1H3.
What are the key properties of N-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline?
N-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline has a molecular weight of 259.27 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 65046957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).