N-benzyl-N-(trifluoromethyl)cyclohexanamine

C14H18F3N — CID 175316581

IUPACN-benzyl-N-(trifluoromethyl)cyclohexanamine
SMILESFC(F)(F)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C14H18F3N/c15-14(16,17)18(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyNQYVCEOIXONOLB-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.34
Rot. Bonds3

About N-benzyl-N-(trifluoromethyl)cyclohexanamine

N-benzyl-N-(trifluoromethyl)cyclohexanamine (PubChem CID 175316581) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N-benzyl-N-(trifluoromethyl)cyclohexanamine.

Molecular Properties

Compound NameN-benzyl-N-(trifluoromethyl)cyclohexanamine
PubChem CID175316581
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-benzyl-N-(trifluoromethyl)cyclohexanamine
SMILESFC(F)(F)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C14H18F3N/c15-14(16,17)18(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyNQYVCEOIXONOLB-UHFFFAOYSA-N
XLogP4.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(trifluoromethyl)cyclohexanamine?
The IUPAC name of N-benzyl-N-(trifluoromethyl)cyclohexanamine (CID 175316581) is N-benzyl-N-(trifluoromethyl)cyclohexanamine.
What is the SMILES notation for N-benzyl-N-(trifluoromethyl)cyclohexanamine?
The canonical SMILES for N-benzyl-N-(trifluoromethyl)cyclohexanamine is FC(F)(F)N(Cc1ccccc1)C1CCCCC1.
What is the InChIKey of N-benzyl-N-(trifluoromethyl)cyclohexanamine?
The InChIKey is NQYVCEOIXONOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c15-14(16,17)18(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2.
What are the key properties of N-benzyl-N-(trifluoromethyl)cyclohexanamine?
N-benzyl-N-(trifluoromethyl)cyclohexanamine has a molecular weight of 257.30 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(trifluoromethyl)cyclohexanamine is sourced from PubChem (CID 175316581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).