[4-[(E)-3-phenylprop-2-enoxy]-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine

C22H24F3NO — CID 70297622

IUPAC[4-[(E)-3-phenylprop-2-enoxy]-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine
SMILESNCC1(c2cc(F)c(F)cc2F)CCC(OC/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H24F3NO/c23-19-14-21(25)20(24)13-18(19)22(15-26)10-8-17(9-11-22)27-12-4-7-16-5-2-1-3-6-16/h1-7,13-14,17H,8-12,15,26H2/b7-4+
InChIKeyCZSQCOCYSSNDMN-QPJJXVBHSA-N
MW375.43 g/mol
LogP4.97
Rot. Bonds6

About [4-[(E)-3-phenylprop-2-enoxy]-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine

[4-[(E)-3-phenylprop-2-enoxy]-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine (PubChem CID 70297622) has the molecular formula C22H24F3NO and a molecular weight of 375.43 g/mol. Its IUPAC name is [4-[(E)-3-phenylprop-2-enoxy]-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[(E)-3-phenylprop-2-enoxy]-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine
PubChem CID70297622
Molecular FormulaC22H24F3NO
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name[4-[(E)-3-phenylprop-2-enoxy]-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine
SMILESNCC1(c2cc(F)c(F)cc2F)CCC(OC/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H24F3NO/c23-19-14-21(25)20(24)13-18(19)22(15-26)10-8-17(9-11-22)27-12-4-7-16-5-2-1-3-6-16/h1-7,13-14,17H,8-12,15,26H2/b7-4+
InChIKeyCZSQCOCYSSNDMN-QPJJXVBHSA-N
XLogP4.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-[(E)-3-phenylprop-2-enoxy]-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-3-phenylprop-2-enoxy]-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine?
The IUPAC name of [4-[(E)-3-phenylprop-2-enoxy]-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine (CID 70297622) is [4-[(E)-3-phenylprop-2-enoxy]-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-[(E)-3-phenylprop-2-enoxy]-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine?
The canonical SMILES for [4-[(E)-3-phenylprop-2-enoxy]-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine is NCC1(c2cc(F)c(F)cc2F)CCC(OC/C=C/c2ccccc2)CC1.
What is the InChIKey of [4-[(E)-3-phenylprop-2-enoxy]-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine?
The InChIKey is CZSQCOCYSSNDMN-QPJJXVBHSA-N. The full InChI is InChI=1S/C22H24F3NO/c23-19-14-21(25)20(24)13-18(19)22(15-26)10-8-17(9-11-22)27-12-4-7-16-5-2-1-3-6-16/h1-7,13-14,17H,8-12,15,26H2/b7-4+.
What are the key properties of [4-[(E)-3-phenylprop-2-enoxy]-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine?
[4-[(E)-3-phenylprop-2-enoxy]-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine has a molecular weight of 375.43 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-3-phenylprop-2-enoxy]-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine is sourced from PubChem (CID 70297622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).