trans-(1R,2R)-2-[(3-chlorophenyl)methylideneamino]cyclohexan-1-ol

C13H16ClNO — CID 10014404

IUPACtrans-(1R,2R)-2-[(3-chlorophenyl)methylideneamino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1/N=C/c1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO/c14-11-5-3-4-10(8-11)9-15-12-6-1-2-7-13(12)16/h3-5,8-9,12-13,16H,1-2,6-7H2/b15-9+/t12-,13-/m1/s1
InChIKeyWJVVGDRIBBFXJL-SICXBXQRSA-N
MW237.73 g/mol
LogP3.06
Rot. Bonds2

About trans-(1R,2R)-2-[(3-chlorophenyl)methylideneamino]cyclohexan-1-ol

trans-(1R,2R)-2-[(3-chlorophenyl)methylideneamino]cyclohexan-1-ol (PubChem CID 10014404) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(3-chlorophenyl)methylideneamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(3-chlorophenyl)methylideneamino]cyclohexan-1-ol
PubChem CID10014404
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Nametrans-(1R,2R)-2-[(3-chlorophenyl)methylideneamino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1/N=C/c1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO/c14-11-5-3-4-10(8-11)9-15-12-6-1-2-7-13(12)16/h3-5,8-9,12-13,16H,1-2,6-7H2/b15-9+/t12-,13-/m1/s1
InChIKeyWJVVGDRIBBFXJL-SICXBXQRSA-N
XLogP3.06
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-2-(Benzylidenamino)-cyclohexanol
CID 15737537
2-[(4-Chlorobenzylidene)amino]-1-butanol
CID 2847005
trans-(1R,2R)-2-[[(E)-(4-chlorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
CID 10378275
(2S)-2-[(3,5-dichlorophenyl)methylideneamino]-2-phenylethanol
CID 11197151
4-(Benzylideneamino)cyclohexan-1-ol
CID 15864426
2-(Benzylideneamino)cyclohexan-1-ol
CID 22328051
(1R)-2-(benzylideneamino)cyclohexan-1-ol
CID 67149914
1-[(4-Chlorophenyl)methylideneamino]-3-cyclobutylpropan-2-ol
CID 123970810
2-[(3,5-Dichlorophenyl)methylideneamino]-2-phenylethanol;ethane
CID 141892981
(2S)-2-[(3-chloro-5-methylphenyl)methylideneamino]-2-phenylethanol
CID 141963313
1-(3-chlorophenyl)-N-cyclohexyloxymethanimine
CID 173606550
(2S)-2-[(4-chlorophenyl)methylideneamino]butan-1-ol
CID 867149

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(3-chlorophenyl)methylideneamino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(3-chlorophenyl)methylideneamino]cyclohexan-1-ol (CID 10014404) is trans-(1R,2R)-2-[(3-chlorophenyl)methylideneamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(3-chlorophenyl)methylideneamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(3-chlorophenyl)methylideneamino]cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1/N=C/c1cccc(Cl)c1.
What is the InChIKey of trans-(1R,2R)-2-[(3-chlorophenyl)methylideneamino]cyclohexan-1-ol?
The InChIKey is WJVVGDRIBBFXJL-SICXBXQRSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-11-5-3-4-10(8-11)9-15-12-6-1-2-7-13(12)16/h3-5,8-9,12-13,16H,1-2,6-7H2/b15-9+/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(3-chlorophenyl)methylideneamino]cyclohexan-1-ol?
trans-(1R,2R)-2-[(3-chlorophenyl)methylideneamino]cyclohexan-1-ol has a molecular weight of 237.73 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(3-chlorophenyl)methylideneamino]cyclohexan-1-ol is sourced from PubChem (CID 10014404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).