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

C22H28NO+ — CID 117071974

IUPAC[1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methylazanium
SMILES[NH3+]C[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/p+1/b10-7+/t21-,22+
InChIKeyJACSEOHFDRDIAI-KRZFAFBLSA-O
MW322.47 g/mol
LogP3.84
Rot. Bonds6

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

[1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methylazanium (PubChem CID 117071974) has the molecular formula C22H28NO+ and a molecular weight of 322.47 g/mol. Its IUPAC name is [1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methylazanium.

Molecular Properties

Compound Name[1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methylazanium
PubChem CID117071974
Molecular FormulaC22H28NO+
Molecular Weight322.47 g/mol
Exact Mass322.22
IUPAC Name[1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methylazanium
SMILES[NH3+]C[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/p+1/b10-7+/t21-,22+
InChIKeyJACSEOHFDRDIAI-KRZFAFBLSA-O
XLogP3.84
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methylazanium with MolForge

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Related Compounds

1-(Cis-1-Phenyl-4-{[(2e)-3-Phenylprop-2-En-1-Yl]oxy}cyclohexyl)methanamine
CID 72725804
2-[(4-Tert-butylphenyl)-phenyl-methoxy]-2-phenyl-ethanamine
CID 46230929
(4-Methoxy-1-phenylcyclohexyl)methanamine
CID 69089363
(1-Phenyl-4-phenylmethoxycyclohexyl)methanamine
CID 70297489
2-([1,1'-Biphenyl]-4-ylmethoxy)-2-phenylethylamine
CID 70682933
2-[4-(4-Fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]ethanamine
CID 68313975
[1-(2,5-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine
CID 70295481
C-[1-(2,5-Difluoro-phenyl)-4-methoxy-cyclohexyl]-methylamine
CID 70296519
[4-[(E)-3-phenylprop-2-enoxy]-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine
CID 70297622
[1-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine
CID 70298154
[1-(2,5-Difluorophenyl)-4-(3-phenylprop-2-enoxy)cyclohexyl]methanamine
CID 77813906
[4-(3-Phenylprop-2-enoxy)-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine
CID 77814467

Frequently Asked Questions

What is the IUPAC name of [1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methylazanium?
The IUPAC name of [1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methylazanium (CID 117071974) is [1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methylazanium.
What is the SMILES notation for [1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methylazanium?
The canonical SMILES for [1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methylazanium is [NH3+]C[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]methylazanium?
The InChIKey is JACSEOHFDRDIAI-KRZFAFBLSA-O. 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/p+1/b10-7+/t21-,22+.
What are the key properties of [1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methylazanium?
[1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methylazanium has a molecular weight of 322.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methylazanium is sourced from PubChem (CID 117071974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).