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

C14H19ClN2O — CID 10378276

IUPACtrans-(1R,2R)-2-[[(E)-(3-chlorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
SMILESCN(/N=C/c1cccc(Cl)c1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H19ClN2O/c1-17(13-7-2-3-8-14(13)18)16-10-11-5-4-6-12(15)9-11/h4-6,9-10,13-14,18H,2-3,7-8H2,1H3/b16-10+/t13-,14-/m1/s1
InChIKeyGLHMUPVLWPCROG-RSCROXIHSA-N
MW266.77 g/mol
LogP2.91
Rot. Bonds3

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

trans-(1R,2R)-2-[[(E)-(3-chlorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol (PubChem CID 10378276) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[(E)-(3-chlorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[(E)-(3-chlorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
PubChem CID10378276
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Nametrans-(1R,2R)-2-[[(E)-(3-chlorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
SMILESCN(/N=C/c1cccc(Cl)c1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H19ClN2O/c1-17(13-7-2-3-8-14(13)18)16-10-11-5-4-6-12(15)9-11/h4-6,9-10,13-14,18H,2-3,7-8H2,1H3/b16-10+/t13-,14-/m1/s1
InChIKeyGLHMUPVLWPCROG-RSCROXIHSA-N
XLogP2.91
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.91
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
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
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)-(4-chlorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
CID 10378275
trans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol
CID 10421471
1-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol
CID 22751157
1-[6-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol
CID 54507254
trans-(1R,2R)-2-[(3-chlorophenyl)methylideneamino]cyclohexan-1-ol
CID 10014404
trans-(1R,2R)-2-[benzyl-[(E)-(4-chlorophenyl)methylideneamino]amino]cyclohexan-1-ol
CID 10246805
cis-(1R,2S)-2-[(3-chlorophenyl)methylideneamino]cyclohexan-1-ol
CID 10263570

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[(E)-(3-chlorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[[(E)-(3-chlorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol (CID 10378276) is trans-(1R,2R)-2-[[(E)-(3-chlorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[[(E)-(3-chlorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[[(E)-(3-chlorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol is CN(/N=C/c1cccc(Cl)c1)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[[(E)-(3-chlorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol?
The InChIKey is GLHMUPVLWPCROG-RSCROXIHSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-17(13-7-2-3-8-14(13)18)16-10-11-5-4-6-12(15)9-11/h4-6,9-10,13-14,18H,2-3,7-8H2,1H3/b16-10+/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[(E)-(3-chlorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol?
trans-(1R,2R)-2-[[(E)-(3-chlorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol has a molecular weight of 266.77 g/mol, XLogP of 2.91, 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-[[(E)-(3-chlorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 10378276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).