1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(dimethylamino)propan-2-ol

C18H25ClN2O2 — CID 54074274

IUPAC1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)CON=C1CCCCC1=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN2O2/c1-21(2)12-17(22)13-23-20-18-6-4-3-5-15(18)11-14-7-9-16(19)10-8-14/h7-11,17,22H,3-6,12-13H2,1-2H3
InChIKeyMIPHXSVEGLCLLL-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.59
Rot. Bonds6

About 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(dimethylamino)propan-2-ol

1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(dimethylamino)propan-2-ol (PubChem CID 54074274) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(dimethylamino)propan-2-ol
PubChem CID54074274
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)CON=C1CCCCC1=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN2O2/c1-21(2)12-17(22)13-23-20-18-6-4-3-5-15(18)11-14-7-9-16(19)10-8-14/h7-11,17,22H,3-6,12-13H2,1-2H3
InChIKeyMIPHXSVEGLCLLL-UHFFFAOYSA-N
XLogP3.59
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.59
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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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(dimethylamino)propan-2-ol?
The IUPAC name of 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(dimethylamino)propan-2-ol (CID 54074274) is 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(dimethylamino)propan-2-ol?
The canonical SMILES for 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(dimethylamino)propan-2-ol is CN(C)CC(O)CON=C1CCCCC1=Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(dimethylamino)propan-2-ol?
The InChIKey is MIPHXSVEGLCLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-21(2)12-17(22)13-23-20-18-6-4-3-5-15(18)11-14-7-9-16(19)10-8-14/h7-11,17,22H,3-6,12-13H2,1-2H3.
What are the key properties of 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(dimethylamino)propan-2-ol?
1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(dimethylamino)propan-2-ol has a molecular weight of 336.86 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 54074274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).