2-(cyclohexylamino)-1-(3,6-dichlorophenanthren-9-yl)ethanol

C22H23Cl2NO — CID 90668937

IUPAC2-(cyclohexylamino)-1-(3,6-dichlorophenanthren-9-yl)ethanol
SMILESOC(CNC1CCCCC1)c1cc2ccc(Cl)cc2c2cc(Cl)ccc12
InChIInChI=1S/C22H23Cl2NO/c23-15-7-6-14-10-21(22(26)13-25-17-4-2-1-3-5-17)18-9-8-16(24)12-20(18)19(14)11-15/h6-12,17,22,25-26H,1-5,13H2
InChIKeyYNGQZMMSXRJROH-UHFFFAOYSA-N
MW388.34 g/mol
LogP6.26
Rot. Bonds4

About 2-(cyclohexylamino)-1-(3,6-dichlorophenanthren-9-yl)ethanol

2-(cyclohexylamino)-1-(3,6-dichlorophenanthren-9-yl)ethanol (PubChem CID 90668937) has the molecular formula C22H23Cl2NO and a molecular weight of 388.34 g/mol. Its IUPAC name is 2-(cyclohexylamino)-1-(3,6-dichlorophenanthren-9-yl)ethanol.

Molecular Properties

Compound Name2-(cyclohexylamino)-1-(3,6-dichlorophenanthren-9-yl)ethanol
PubChem CID90668937
Molecular FormulaC22H23Cl2NO
Molecular Weight388.34 g/mol
Exact Mass387.12
IUPAC Name2-(cyclohexylamino)-1-(3,6-dichlorophenanthren-9-yl)ethanol
SMILESOC(CNC1CCCCC1)c1cc2ccc(Cl)cc2c2cc(Cl)ccc12
InChIInChI=1S/C22H23Cl2NO/c23-15-7-6-14-10-21(22(26)13-25-17-4-2-1-3-5-17)18-9-8-16(24)12-20(18)19(14)11-15/h6-12,17,22,25-26H,1-5,13H2
InChIKeyYNGQZMMSXRJROH-UHFFFAOYSA-N
XLogP6.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.34
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687
2-piperidin-2-yl-1-(2,3,6-trichlorophenanthren-9-yl)ethanol
CID 90668908
(1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol
CID 94591374
2-(cyclohexylamino)-1-(2-methoxy-3,5-dimethylphenyl)ethanol
CID 82315590
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60900441
2-[(3,5-dibromocyclooctyl)amino]-1-(2,5-dichlorophenyl)ethanol
CID 70463387
2-(cyclopropylamino)-1-[6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]ethanol
CID 90669061
2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol
CID 60896945
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
1-(4-chlorophenyl)-2-[(4-methylcyclohexyl)amino]ethanol
CID 60724617
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
CID 39350104
1-(2,5-dichlorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol
CID 63490841

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-1-(3,6-dichlorophenanthren-9-yl)ethanol?
The IUPAC name of 2-(cyclohexylamino)-1-(3,6-dichlorophenanthren-9-yl)ethanol (CID 90668937) is 2-(cyclohexylamino)-1-(3,6-dichlorophenanthren-9-yl)ethanol.
What is the SMILES notation for 2-(cyclohexylamino)-1-(3,6-dichlorophenanthren-9-yl)ethanol?
The canonical SMILES for 2-(cyclohexylamino)-1-(3,6-dichlorophenanthren-9-yl)ethanol is OC(CNC1CCCCC1)c1cc2ccc(Cl)cc2c2cc(Cl)ccc12.
What is the InChIKey of 2-(cyclohexylamino)-1-(3,6-dichlorophenanthren-9-yl)ethanol?
The InChIKey is YNGQZMMSXRJROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2NO/c23-15-7-6-14-10-21(22(26)13-25-17-4-2-1-3-5-17)18-9-8-16(24)12-20(18)19(14)11-15/h6-12,17,22,25-26H,1-5,13H2.
What are the key properties of 2-(cyclohexylamino)-1-(3,6-dichlorophenanthren-9-yl)ethanol?
2-(cyclohexylamino)-1-(3,6-dichlorophenanthren-9-yl)ethanol has a molecular weight of 388.34 g/mol, XLogP of 6.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-1-(3,6-dichlorophenanthren-9-yl)ethanol is sourced from PubChem (CID 90668937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).