trans-(1S,2S)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol

C14H19FN2O — CID 177408903

IUPACtrans-(1S,2S)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
SMILESCN(/N=C/c1ccc(F)cc1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H19FN2O/c1-17(13-4-2-3-5-14(13)18)16-10-11-6-8-12(15)9-7-11/h6-10,13-14,18H,2-5H2,1H3/b16-10+/t13-,14-/m0/s1
InChIKeyCSGWRRQEKLSYGS-UDKOXHGFSA-N
MW250.32 g/mol
LogP2.39
Rot. Bonds3

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

trans-(1S,2S)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol (PubChem CID 177408903) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
PubChem CID177408903
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Nametrans-(1S,2S)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
SMILESCN(/N=C/c1ccc(F)cc1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H19FN2O/c1-17(13-4-2-3-5-14(13)18)16-10-11-6-8-12(15)9-7-11/h6-10,13-14,18H,2-5H2,1H3/b16-10+/t13-,14-/m0/s1
InChIKeyCSGWRRQEKLSYGS-UDKOXHGFSA-N
XLogP2.39
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.39
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-2-(Benzylidenamino)-cyclohexanol
CID 15737537
trans-(1R,2R)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
CID 10422222
3-(p-Fluorophenyl)-2-(2-hydroxyhexyl)-4,5-dihydropyridazin
CID 22751166
1-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol
CID 22751175
(1R,2S)-2-[[(E)-benzylideneamino]-methylamino]-1-phenylpropan-1-ol
CID 12776695
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-[methyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol
CID 10357433
trans-(1R,2R)-2-[[(E)-(3-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
CID 11776888
(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

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol (CID 177408903) is trans-(1S,2S)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol is CN(/N=C/c1ccc(F)cc1)[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol?
The InChIKey is CSGWRRQEKLSYGS-UDKOXHGFSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-17(13-4-2-3-5-14(13)18)16-10-11-6-8-12(15)9-7-11/h6-10,13-14,18H,2-5H2,1H3/b16-10+/t13-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol?
trans-(1S,2S)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol has a molecular weight of 250.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 177408903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).