1-(2,5-dichlorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol

C16H23Cl2NO — CID 63490841

IUPAC1-(2,5-dichlorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol
SMILESCCC1CCCCC1NCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H23Cl2NO/c1-2-11-5-3-4-6-15(11)19-10-16(20)13-9-12(17)7-8-14(13)18/h7-9,11,15-16,19-20H,2-6,10H2,1H3
InChIKeyZOOIUTNZWVIWBN-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.59
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol

1-(2,5-dichlorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol (PubChem CID 63490841) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol
PubChem CID63490841
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name1-(2,5-dichlorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol
SMILESCCC1CCCCC1NCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H23Cl2NO/c1-2-11-5-3-4-6-15(11)19-10-16(20)13-9-12(17)7-8-14(13)18/h7-9,11,15-16,19-20H,2-6,10H2,1H3
InChIKeyZOOIUTNZWVIWBN-UHFFFAOYSA-N
XLogP4.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol
CID 61467080
2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60900468
2-[(2-ethylcyclopentyl)amino]-1-phenylethanol
CID 115706038
1-(2-chlorophenyl)-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 106360636
2,4-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55256942
2-[(3,5-dibromocyclooctyl)amino]-1-(2,5-dichlorophenyl)ethanol
CID 70463387
N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43709240
1-(2,5-dichlorophenyl)-2-[(2,2-dimethyloxan-4-yl)amino]ethanol
CID 83033246
1-(2,5-dichlorophenyl)-2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol
CID 60900313
2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol
CID 60981166
1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol
CID 55261148
1-cyclopentyl-2-[(2-ethylcyclopentyl)amino]ethanol
CID 115890580

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol (CID 63490841) is 1-(2,5-dichlorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol is CCC1CCCCC1NCC(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol?
The InChIKey is ZOOIUTNZWVIWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-2-11-5-3-4-6-15(11)19-10-16(20)13-9-12(17)7-8-14(13)18/h7-9,11,15-16,19-20H,2-6,10H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol?
1-(2,5-dichlorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol has a molecular weight of 316.27 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol is sourced from PubChem (CID 63490841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).