cis-(1R,2S)-2-[(4-chlorophenyl)methylideneamino]cyclohexan-1-ol

C13H16ClNO — CID 10399288

IUPACcis-(1R,2S)-2-[(4-chlorophenyl)methylideneamino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@@H]1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO/c14-11-7-5-10(6-8-11)9-15-12-3-1-2-4-13(12)16/h5-9,12-13,16H,1-4H2/b15-9+/t12-,13+/m0/s1
InChIKeyGSWBQWUSLKJUKC-DZFVGJMKSA-N
MW237.73 g/mol
LogP3.06
Rot. Bonds2

About cis-(1R,2S)-2-[(4-chlorophenyl)methylideneamino]cyclohexan-1-ol

cis-(1R,2S)-2-[(4-chlorophenyl)methylideneamino]cyclohexan-1-ol (PubChem CID 10399288) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(4-chlorophenyl)methylideneamino]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(4-chlorophenyl)methylideneamino]cyclohexan-1-ol
PubChem CID10399288
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Namecis-(1R,2S)-2-[(4-chlorophenyl)methylideneamino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@@H]1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO/c14-11-7-5-10(6-8-11)9-15-12-3-1-2-4-13(12)16/h5-9,12-13,16H,1-4H2/b15-9+/t12-,13+/m0/s1
InChIKeyGSWBQWUSLKJUKC-DZFVGJMKSA-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

2-[(4-Chlorobenzylidene)amino]-2-methyl-1-propanol
CID 261936
2-{[(4-Chlorophenyl)methylidene]amino}-1-phenylethan1-ol
CID 2841062
trans-2-(Benzylidenamino)-cyclohexanol
CID 15737537
2-[(4-Chlorophenyl)methylideneamino]ethanol
CID 4617439
2-[(4-Chlorobenzylidene)amino]-1-butanol
CID 2847005
1,3-Bis[(4-chlorophenyl)methylideneamino]propan-2-ol
CID 5325972
trans-(1R,2R)-2-[[(E)-(4-chlorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
CID 10378275
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
6-[1-(4-Chlorophenyl)-3-phenylprop-1-en-2-yl]-2,3,4,5-tetrahydropyridin-4-ol
CID 134235561

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(4-chlorophenyl)methylideneamino]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[(4-chlorophenyl)methylideneamino]cyclohexan-1-ol (CID 10399288) is cis-(1R,2S)-2-[(4-chlorophenyl)methylideneamino]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[(4-chlorophenyl)methylideneamino]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[(4-chlorophenyl)methylideneamino]cyclohexan-1-ol is O[C@@H]1CCCC[C@@H]1/N=C/c1ccc(Cl)cc1.
What is the InChIKey of cis-(1R,2S)-2-[(4-chlorophenyl)methylideneamino]cyclohexan-1-ol?
The InChIKey is GSWBQWUSLKJUKC-DZFVGJMKSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-11-7-5-10(6-8-11)9-15-12-3-1-2-4-13(12)16/h5-9,12-13,16H,1-4H2/b15-9+/t12-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(4-chlorophenyl)methylideneamino]cyclohexan-1-ol?
cis-(1R,2S)-2-[(4-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 cis-(1R,2S)-2-[(4-chlorophenyl)methylideneamino]cyclohexan-1-ol is sourced from PubChem (CID 10399288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).