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

C22H31ClN2O2 — CID 57195433

IUPAC(2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(cyclohexylamino)propan-2-ol
SMILESO[C@H](CNC1CCCCC1)CONC1=CCCCC1=Cc1ccc(Cl)cc1
InChIInChI=1S/C22H31ClN2O2/c23-19-12-10-17(11-13-19)14-18-6-4-5-9-22(18)25-27-16-21(26)15-24-20-7-2-1-3-8-20/h9-14,20-21,24-26H,1-8,15-16H2/t21-/m1/s1
InChIKeyAHNDUXPTRZUWRV-OAQYLSRUSA-N
MW390.96 g/mol
LogP4.60
Rot. Bonds8

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

(2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(cyclohexylamino)propan-2-ol (PubChem CID 57195433) has the molecular formula C22H31ClN2O2 and a molecular weight of 390.96 g/mol. Its IUPAC name is (2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(cyclohexylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(cyclohexylamino)propan-2-ol
PubChem CID57195433
Molecular FormulaC22H31ClN2O2
Molecular Weight390.96 g/mol
Exact Mass390.21
IUPAC Name(2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(cyclohexylamino)propan-2-ol
SMILESO[C@H](CNC1CCCCC1)CONC1=CCCCC1=Cc1ccc(Cl)cc1
InChIInChI=1S/C22H31ClN2O2/c23-19-12-10-17(11-13-19)14-18-6-4-5-9-22(18)25-27-16-21(26)15-24-20-7-2-1-3-8-20/h9-14,20-21,24-26H,1-8,15-16H2/t21-/m1/s1
InChIKeyAHNDUXPTRZUWRV-OAQYLSRUSA-N
XLogP4.60
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 54.60
H-Bond Donors ≤ 53
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-(cyclohexylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-3-[(6-benzylidenecyclohexen-1-yl)amino]oxypropan-2-ol
CID 57308154
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
(2S)-1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 57281138
1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol
CID 60635580
1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62413983
N-[3-(4-chlorophenyl)prop-2-enyl]cyclooctanamine
CID 4725017
1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol
CID 111104815
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216
4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one
CID 106188968
1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4799215

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(cyclohexylamino)propan-2-ol?
The IUPAC name of (2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(cyclohexylamino)propan-2-ol (CID 57195433) is (2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(cyclohexylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(cyclohexylamino)propan-2-ol?
The canonical SMILES for (2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(cyclohexylamino)propan-2-ol is O[C@H](CNC1CCCCC1)CONC1=CCCCC1=Cc1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(cyclohexylamino)propan-2-ol?
The InChIKey is AHNDUXPTRZUWRV-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H31ClN2O2/c23-19-12-10-17(11-13-19)14-18-6-4-5-9-22(18)25-27-16-21(26)15-24-20-7-2-1-3-8-20/h9-14,20-21,24-26H,1-8,15-16H2/t21-/m1/s1.
What are the key properties of (2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(cyclohexylamino)propan-2-ol?
(2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(cyclohexylamino)propan-2-ol has a molecular weight of 390.96 g/mol, XLogP of 4.60, 8 rotatable bonds, 3 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-(cyclohexylamino)propan-2-ol is sourced from PubChem (CID 57195433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).