N-[3-pyridin-4-yl-4-(trifluoromethyl)phenoxy]cyclohexanamine

C18H19F3N2O — CID 87136931

IUPACN-[3-pyridin-4-yl-4-(trifluoromethyl)phenoxy]cyclohexanamine
SMILESFC(F)(F)c1ccc(ONC2CCCCC2)cc1-c1ccncc1
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)17-7-6-15(24-23-14-4-2-1-3-5-14)12-16(17)13-8-10-22-11-9-13/h6-12,14,23H,1-5H2
InChIKeyAIPIEDYEXPPGFT-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.98
Rot. Bonds4

About N-[3-pyridin-4-yl-4-(trifluoromethyl)phenoxy]cyclohexanamine

N-[3-pyridin-4-yl-4-(trifluoromethyl)phenoxy]cyclohexanamine (PubChem CID 87136931) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[3-pyridin-4-yl-4-(trifluoromethyl)phenoxy]cyclohexanamine.

Molecular Properties

Compound NameN-[3-pyridin-4-yl-4-(trifluoromethyl)phenoxy]cyclohexanamine
PubChem CID87136931
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC NameN-[3-pyridin-4-yl-4-(trifluoromethyl)phenoxy]cyclohexanamine
SMILESFC(F)(F)c1ccc(ONC2CCCCC2)cc1-c1ccncc1
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)17-7-6-15(24-23-14-4-2-1-3-5-14)12-16(17)13-8-10-22-11-9-13/h6-12,14,23H,1-5H2
InChIKeyAIPIEDYEXPPGFT-UHFFFAOYSA-N
XLogP4.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-pyridin-4-yl-4-(trifluoromethyl)phenoxy]cyclohexanamine?
The IUPAC name of N-[3-pyridin-4-yl-4-(trifluoromethyl)phenoxy]cyclohexanamine (CID 87136931) is N-[3-pyridin-4-yl-4-(trifluoromethyl)phenoxy]cyclohexanamine.
What is the SMILES notation for N-[3-pyridin-4-yl-4-(trifluoromethyl)phenoxy]cyclohexanamine?
The canonical SMILES for N-[3-pyridin-4-yl-4-(trifluoromethyl)phenoxy]cyclohexanamine is FC(F)(F)c1ccc(ONC2CCCCC2)cc1-c1ccncc1.
What is the InChIKey of N-[3-pyridin-4-yl-4-(trifluoromethyl)phenoxy]cyclohexanamine?
The InChIKey is AIPIEDYEXPPGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c19-18(20,21)17-7-6-15(24-23-14-4-2-1-3-5-14)12-16(17)13-8-10-22-11-9-13/h6-12,14,23H,1-5H2.
What are the key properties of N-[3-pyridin-4-yl-4-(trifluoromethyl)phenoxy]cyclohexanamine?
N-[3-pyridin-4-yl-4-(trifluoromethyl)phenoxy]cyclohexanamine has a molecular weight of 336.36 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-pyridin-4-yl-4-(trifluoromethyl)phenoxy]cyclohexanamine is sourced from PubChem (CID 87136931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).