trans-(1R,2R)-2-[methyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol

C15H19F3N2O — CID 10357433

IUPACtrans-(1R,2R)-2-[methyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol
SMILESCN(/N=C/c1cccc(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H19F3N2O/c1-20(13-7-2-3-8-14(13)21)19-10-11-5-4-6-12(9-11)15(16,17)18/h4-6,9-10,13-14,21H,2-3,7-8H2,1H3/b19-10+/t13-,14-/m1/s1
InChIKeyHSJHYUNLAJGLMS-IGUNNGOCSA-N
MW300.32 g/mol
LogP3.27
Rot. Bonds3

About trans-(1R,2R)-2-[methyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol

trans-(1R,2R)-2-[methyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol (PubChem CID 10357433) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-[methyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[methyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol
PubChem CID10357433
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Nametrans-(1R,2R)-2-[methyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol
SMILESCN(/N=C/c1cccc(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H19F3N2O/c1-20(13-7-2-3-8-14(13)21)19-10-11-5-4-6-12(9-11)15(16,17)18/h4-6,9-10,13-14,21H,2-3,7-8H2,1H3/b19-10+/t13-,14-/m1/s1
InChIKeyHSJHYUNLAJGLMS-IGUNNGOCSA-N
XLogP3.27
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
CID 10422222
1-[6-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol
CID 22751169
trans-(1R,2R)-2-[benzyl-[(E)-(4-fluorophenyl)methylideneamino]amino]cyclohexan-1-ol
CID 9996491
trans-(1R,2R)-2-[benzyl-[(E)-(3-fluorophenyl)methylideneamino]amino]cyclohexan-1-ol
CID 10245831
trans-(1R,2R)-2-[benzyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol
CID 10317391
trans-(1R,2R)-2-[[(E)-(3-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
CID 11776888
trans-(1S,2S)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
CID 177408903
(2R)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]butan-1-ol
CID 177546998
trans-(1S,2S)-2-[methyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol
CID 177567725
trans-(1S,2S)-2-[[(E)-(3-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
CID 177614381
trans-(1R,2R)-2-[methyl-[(E)-(4-methylphenyl)methylideneamino]amino]cyclohexan-1-ol
CID 10105984
trans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol
CID 10421471

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[methyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[methyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol (CID 10357433) is trans-(1R,2R)-2-[methyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[methyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[methyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol is CN(/N=C/c1cccc(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[methyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol?
The InChIKey is HSJHYUNLAJGLMS-IGUNNGOCSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-20(13-7-2-3-8-14(13)21)19-10-11-5-4-6-12(9-11)15(16,17)18/h4-6,9-10,13-14,21H,2-3,7-8H2,1H3/b19-10+/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[methyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[methyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol has a molecular weight of 300.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[methyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol is sourced from PubChem (CID 10357433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).