(2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(dimethylamino)propan-2-ol

C18H25ClN2O2 — CID 57131035

IUPAC(2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(dimethylamino)propan-2-ol
SMILESCN(C)C[C@@H](O)CONC1=CCCCC1=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/h6-11,17,20,22H,3-5,12-13H2,1-2H3/t17-/m1/s1
InChIKeyXZCYETRZHSIZGM-QGZVFWFLSA-N
MW336.86 g/mol
LogP3.23
Rot. Bonds7

About (2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(dimethylamino)propan-2-ol

(2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(dimethylamino)propan-2-ol (PubChem CID 57131035) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is (2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(dimethylamino)propan-2-ol
PubChem CID57131035
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name(2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(dimethylamino)propan-2-ol
SMILESCN(C)C[C@@H](O)CONC1=CCCCC1=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/h6-11,17,20,22H,3-5,12-13H2,1-2H3/t17-/m1/s1
InChIKeyXZCYETRZHSIZGM-QGZVFWFLSA-N
XLogP3.23
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(dimethylamino)propan-2-ol with MolForge

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Related Compounds

1-[[2-[(4-Chlorophenyl)methylidene]cyclohexylidene]amino]oxy-3-(dimethylamino)propan-2-ol
CID 54074274
6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine
CID 56613448
6-[(4-chlorophenyl)methylidene]-N-[3-[di(propan-2-yl)amino]propoxy]cyclohexen-1-amine
CID 56620931
1-(4-chlorophenyl)-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine
CID 56976968
6-[(4-chlorophenyl)methylidene]-N-[2-[di(propan-2-yl)amino]ethoxy]-2-methylcyclohexen-1-amine
CID 56982194
(2S)-1-[[6-[(2,6-dichlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 56985877
1-[(6-Benzylidenecyclohexen-1-yl)amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol
CID 57008120
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine
CID 57017294
(2R)-1-(butylamino)-3-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxypropan-2-ol
CID 57023903
(2S)-1-(butylamino)-3-[[2-[(3,4-dichlorophenyl)methyl]cyclohexen-1-yl]amino]oxypropan-2-ol
CID 57026485
(2S)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(2-methylpropylamino)propan-2-ol
CID 57028505
1-(4-chlorophenyl)-N-[2-(diethylamino)ethoxy]penta-1,3-dien-3-amine
CID 57037626

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(dimethylamino)propan-2-ol?
The IUPAC name of (2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(dimethylamino)propan-2-ol (CID 57131035) is (2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(dimethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(dimethylamino)propan-2-ol is CN(C)C[C@@H](O)CONC1=CCCCC1=Cc1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(dimethylamino)propan-2-ol?
The InChIKey is XZCYETRZHSIZGM-QGZVFWFLSA-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/h6-11,17,20,22H,3-5,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(dimethylamino)propan-2-ol?
(2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(dimethylamino)propan-2-ol has a molecular weight of 336.86 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 57131035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).