[4-methoxy-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine

C14H18F3NO — CID 71184623

IUPAC[4-methoxy-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine
SMILESCOC1CCC(CN)(c2cc(F)c(F)cc2F)CC1
InChIInChI=1S/C14H18F3NO/c1-19-9-2-4-14(8-18,5-3-9)10-6-12(16)13(17)7-11(10)15/h6-7,9H,2-5,8,18H2,1H3
InChIKeyWVFIEHIICOKQME-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.89
Rot. Bonds3

About [4-methoxy-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine

[4-methoxy-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine (PubChem CID 71184623) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is [4-methoxy-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine
PubChem CID71184623
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name[4-methoxy-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine
SMILESCOC1CCC(CN)(c2cc(F)c(F)cc2F)CC1
InChIInChI=1S/C14H18F3NO/c1-19-9-2-4-14(8-18,5-3-9)10-6-12(16)13(17)7-11(10)15/h6-7,9H,2-5,8,18H2,1H3
InChIKeyWVFIEHIICOKQME-UHFFFAOYSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine?
The IUPAC name of [4-methoxy-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine (CID 71184623) is [4-methoxy-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-methoxy-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine?
The canonical SMILES for [4-methoxy-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine is COC1CCC(CN)(c2cc(F)c(F)cc2F)CC1.
What is the InChIKey of [4-methoxy-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine?
The InChIKey is WVFIEHIICOKQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-19-9-2-4-14(8-18,5-3-9)10-6-12(16)13(17)7-11(10)15/h6-7,9H,2-5,8,18H2,1H3.
What are the key properties of [4-methoxy-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine?
[4-methoxy-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine has a molecular weight of 273.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine is sourced from PubChem (CID 71184623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).