2-(2-methylcyclohexyl)oxy-5-(trifluoromethyl)aniline

C14H18F3NO — CID 43098974

IUPAC2-(2-methylcyclohexyl)oxy-5-(trifluoromethyl)aniline
SMILESCC1CCCCC1Oc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C14H18F3NO/c1-9-4-2-3-5-12(9)19-13-7-6-10(8-11(13)18)14(15,16)17/h6-9,12H,2-5,18H2,1H3
InChIKeyVIUGALRMFQNMTM-UHFFFAOYSA-N
MW273.30 g/mol
LogP4.25
Rot. Bonds2

About 2-(2-methylcyclohexyl)oxy-5-(trifluoromethyl)aniline

2-(2-methylcyclohexyl)oxy-5-(trifluoromethyl)aniline (PubChem CID 43098974) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(2-methylcyclohexyl)oxy-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(2-methylcyclohexyl)oxy-5-(trifluoromethyl)aniline
PubChem CID43098974
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-(2-methylcyclohexyl)oxy-5-(trifluoromethyl)aniline
SMILESCC1CCCCC1Oc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C14H18F3NO/c1-9-4-2-3-5-12(9)19-13-7-6-10(8-11(13)18)14(15,16)17/h6-9,12H,2-5,18H2,1H3
InChIKeyVIUGALRMFQNMTM-UHFFFAOYSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclohexyl)oxy-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(2-methylcyclohexyl)oxy-5-(trifluoromethyl)aniline (CID 43098974) is 2-(2-methylcyclohexyl)oxy-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(2-methylcyclohexyl)oxy-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(2-methylcyclohexyl)oxy-5-(trifluoromethyl)aniline is CC1CCCCC1Oc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-(2-methylcyclohexyl)oxy-5-(trifluoromethyl)aniline?
The InChIKey is VIUGALRMFQNMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-9-4-2-3-5-12(9)19-13-7-6-10(8-11(13)18)14(15,16)17/h6-9,12H,2-5,18H2,1H3.
What are the key properties of 2-(2-methylcyclohexyl)oxy-5-(trifluoromethyl)aniline?
2-(2-methylcyclohexyl)oxy-5-(trifluoromethyl)aniline has a molecular weight of 273.30 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclohexyl)oxy-5-(trifluoromethyl)aniline is sourced from PubChem (CID 43098974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).