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

C22H25F2NO — CID 70298154

IUPAC[1-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine
SMILESNCC1(c2ccc(F)cc2F)CCC(OC/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H25F2NO/c23-18-8-9-20(21(24)15-18)22(16-25)12-10-19(11-13-22)26-14-4-7-17-5-2-1-3-6-17/h1-9,15,19H,10-14,16,25H2/b7-4+
InChIKeyUEGXZRPKOSEPII-QPJJXVBHSA-N
MW357.44 g/mol
LogP4.83
Rot. Bonds6

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

[1-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine (PubChem CID 70298154) has the molecular formula C22H25F2NO and a molecular weight of 357.44 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine
PubChem CID70298154
Molecular FormulaC22H25F2NO
Molecular Weight357.44 g/mol
Exact Mass357.19
IUPAC Name[1-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine
SMILESNCC1(c2ccc(F)cc2F)CCC(OC/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H25F2NO/c23-18-8-9-20(21(24)15-18)22(16-25)12-10-19(11-13-22)26-14-4-7-17-5-2-1-3-6-17/h1-9,15,19H,10-14,16,25H2/b7-4+
InChIKeyUEGXZRPKOSEPII-QPJJXVBHSA-N
XLogP4.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine?
The IUPAC name of [1-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine (CID 70298154) is [1-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine.
What is the SMILES notation for [1-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine?
The canonical SMILES for [1-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine is NCC1(c2ccc(F)cc2F)CCC(OC/C=C/c2ccccc2)CC1.
What is the InChIKey of [1-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine?
The InChIKey is UEGXZRPKOSEPII-QPJJXVBHSA-N. The full InChI is InChI=1S/C22H25F2NO/c23-18-8-9-20(21(24)15-18)22(16-25)12-10-19(11-13-22)26-14-4-7-17-5-2-1-3-6-17/h1-9,15,19H,10-14,16,25H2/b7-4+.
What are the key properties of [1-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine?
[1-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine has a molecular weight of 357.44 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine is sourced from PubChem (CID 70298154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).