1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol

C15H23Cl2NO — CID 79061239

IUPAC1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol
SMILESCCC(CC)(C(O)Cc1c(Cl)cccc1Cl)N(C)C
InChIInChI=1S/C15H23Cl2NO/c1-5-15(6-2,18(3)4)14(19)10-11-12(16)8-7-9-13(11)17/h7-9,14,19H,5-6,10H2,1-4H3
InChIKeyLCGJSWJUWGPCPH-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.02
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol

1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol (PubChem CID 79061239) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol
PubChem CID79061239
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol
SMILESCCC(CC)(C(O)Cc1c(Cl)cccc1Cl)N(C)C
InChIInChI=1S/C15H23Cl2NO/c1-5-15(6-2,18(3)4)14(19)10-11-12(16)8-7-9-13(11)17/h7-9,14,19H,5-6,10H2,1-4H3
InChIKeyLCGJSWJUWGPCPH-UHFFFAOYSA-N
XLogP4.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79064295
1-(2,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol
CID 79062622
1-(2,6-dichlorophenyl)pentane-2,3-diol
CID 103454648
1-(2,6-dichlorophenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine
CID 79063654
3-(dimethylamino)-3-ethyl-1-(2-methoxyphenyl)pentan-2-ol
CID 79061839
1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64769319
1-(2,6-dichlorophenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine
CID 79052907
3-[(2,3-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylpentan-3-amine
CID 105241764
1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol
CID 62607303
2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanol
CID 55187735
[1-(2,6-dichlorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105293201
1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 107103304

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol (CID 79061239) is 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol is CCC(CC)(C(O)Cc1c(Cl)cccc1Cl)N(C)C.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol?
The InChIKey is LCGJSWJUWGPCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-5-15(6-2,18(3)4)14(19)10-11-12(16)8-7-9-13(11)17/h7-9,14,19H,5-6,10H2,1-4H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol?
1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol has a molecular weight of 304.26 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol is sourced from PubChem (CID 79061239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).