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

C22H27NO — CID 72725804

IUPAC[1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine
SMILESNC[C@]1(c2ccccc2)CC[C@@H](OC/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H27NO/c23-18-22(20-11-5-2-6-12-20)15-13-21(14-16-22)24-17-7-10-19-8-3-1-4-9-19/h1-12,21H,13-18,23H2/b10-7+/t21-,22+
InChIKeyJACSEOHFDRDIAI-KRZFAFBLSA-N
MW321.46 g/mol
LogP4.56
Rot. Bonds6

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

[1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine (PubChem CID 72725804) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is [1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine
PubChem CID72725804
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name[1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine
SMILESNC[C@]1(c2ccccc2)CC[C@@H](OC/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H27NO/c23-18-22(20-11-5-2-6-12-20)15-13-21(14-16-22)24-17-7-10-19-8-3-1-4-9-19/h1-12,21H,13-18,23H2/b10-7+/t21-,22+
InChIKeyJACSEOHFDRDIAI-KRZFAFBLSA-N
XLogP4.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine?
The IUPAC name of [1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine (CID 72725804) is [1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine.
What is the SMILES notation for [1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine?
The canonical SMILES for [1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine is NC[C@]1(c2ccccc2)CC[C@@H](OC/C=C/c2ccccc2)CC1.
What is the InChIKey of [1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine?
The InChIKey is JACSEOHFDRDIAI-KRZFAFBLSA-N. The full InChI is InChI=1S/C22H27NO/c23-18-22(20-11-5-2-6-12-20)15-13-21(14-16-22)24-17-7-10-19-8-3-1-4-9-19/h1-12,21H,13-18,23H2/b10-7+/t21-,22+.
What are the key properties of [1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine?
[1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine has a molecular weight of 321.46 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine is sourced from PubChem (CID 72725804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).