trans-(1R,2R)-2-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]cyclohexan-1-ol

C15H22N2O2 — CID 10038357

IUPACtrans-(1R,2R)-2-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]cyclohexan-1-ol
SMILESCOc1ccc(/C=N/N(C)[C@@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C15H22N2O2/c1-17(14-5-3-4-6-15(14)18)16-11-12-7-9-13(19-2)10-8-12/h7-11,14-15,18H,3-6H2,1-2H3/b16-11+/t14-,15-/m1/s1
InChIKeyBOGNBUXUSYOZPO-AJMXMICASA-N
MW262.35 g/mol
LogP2.26
Rot. Bonds4

About trans-(1R,2R)-2-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]cyclohexan-1-ol

trans-(1R,2R)-2-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]cyclohexan-1-ol (PubChem CID 10038357) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]cyclohexan-1-ol
PubChem CID10038357
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametrans-(1R,2R)-2-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]cyclohexan-1-ol
SMILESCOc1ccc(/C=N/N(C)[C@@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C15H22N2O2/c1-17(14-5-3-4-6-15(14)18)16-11-12-7-9-13(19-2)10-8-12/h7-11,14-15,18H,3-6H2,1-2H3/b16-11+/t14-,15-/m1/s1
InChIKeyBOGNBUXUSYOZPO-AJMXMICASA-N
XLogP2.26
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(E)-N-(2,6-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)methanimine
CID 9608115
2-((p-Methoxybenzylidene)amino)-3-phenyl-1-propanol
CID 205357
2-[[(2E)-2-[(4-methoxyphenyl)methylidene]hexylidene]amino]butan-1-ol
CID 44565281
(E)-2-(4-Methoxybenzylideneamino)-1-phenylethanol
CID 2841123
p-Methoxybenzylidene-cyclohexyl-amine
CID 525703
(3R,4R)-4-((E)-(4-methoxybenzylidene)amino)piperidin-3-ol
CID 71567423
(2S)-2-[(4-methoxyphenyl)methylideneamino]-2-phenylethanol
CID 14972476
1,3-Bis[(E)-4-methoxybenzylideneamino]propan-2-ol
CID 73894407
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(3-methoxyphenyl)methanimine
CID 134890406
2-(P-Methoxyphenyl)-4,5-dimethyl-6-phenyl-5,6-dihydro-(4H)-1,3,4-oxadiazine
CID 31057
2-(p-Methoxyphenyl)-4,5-dimethyl-6-phenyl-5,6-dihydro-(4H)-1,3,4-oxadiazine, cis-(+/-)-
CID 133082279
2-(p-Methoxyphenyl)-4,5-dimethyl-6-phenyl-5,6-dihydro-(4H)-1,3,4-oxadiazine, trans-(+/-)-
CID 133082538

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]cyclohexan-1-ol (CID 10038357) is trans-(1R,2R)-2-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]cyclohexan-1-ol is COc1ccc(/C=N/N(C)[C@@H]2CCCC[C@H]2O)cc1.
What is the InChIKey of trans-(1R,2R)-2-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]cyclohexan-1-ol?
The InChIKey is BOGNBUXUSYOZPO-AJMXMICASA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(14-5-3-4-6-15(14)18)16-11-12-7-9-13(19-2)10-8-12/h7-11,14-15,18H,3-6H2,1-2H3/b16-11+/t14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]cyclohexan-1-ol?
trans-(1R,2R)-2-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]cyclohexan-1-ol has a molecular weight of 262.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 10038357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).