N-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline

C16H20F3NO — CID 64593461

IUPACN-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline
SMILESFC(F)(F)Oc1ccc(NC2CCCC(C3CC3)C2)cc1
InChIInChI=1S/C16H20F3NO/c17-16(18,19)21-15-8-6-13(7-9-15)20-14-3-1-2-12(10-14)11-4-5-11/h6-9,11-12,14,20H,1-5,10H2
InChIKeyUYYAGEBXNDWINH-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.97
Rot. Bonds4

About N-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline

N-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline (PubChem CID 64593461) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is N-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline
PubChem CID64593461
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC NameN-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline
SMILESFC(F)(F)Oc1ccc(NC2CCCC(C3CC3)C2)cc1
InChIInChI=1S/C16H20F3NO/c17-16(18,19)21-15-8-6-13(7-9-15)20-14-3-1-2-12(10-14)11-4-5-11/h6-9,11-12,14,20H,1-5,10H2
InChIKeyUYYAGEBXNDWINH-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.97
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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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline?
The IUPAC name of N-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline (CID 64593461) is N-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline.
What is the SMILES notation for N-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline?
The canonical SMILES for N-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline is FC(F)(F)Oc1ccc(NC2CCCC(C3CC3)C2)cc1.
What is the InChIKey of N-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline?
The InChIKey is UYYAGEBXNDWINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c17-16(18,19)21-15-8-6-13(7-9-15)20-14-3-1-2-12(10-14)11-4-5-11/h6-9,11-12,14,20H,1-5,10H2.
What are the key properties of N-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline?
N-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline has a molecular weight of 299.34 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 64593461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).