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

C14H21Cl2NO — CID 79064295

IUPAC1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol
SMILESCCC(C)(C(O)Cc1c(Cl)cccc1Cl)N(C)C
InChIInChI=1S/C14H21Cl2NO/c1-5-14(2,17(3)4)13(18)9-10-11(15)7-6-8-12(10)16/h6-8,13,18H,5,9H2,1-4H3
InChIKeyZYIWFAPZJPEABD-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.63
Rot. Bonds5

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

1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol (PubChem CID 79064295) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol
PubChem CID79064295
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol
SMILESCCC(C)(C(O)Cc1c(Cl)cccc1Cl)N(C)C
InChIInChI=1S/C14H21Cl2NO/c1-5-14(2,17(3)4)13(18)9-10-11(15)7-6-8-12(10)16/h6-8,13,18H,5,9H2,1-4H3
InChIKeyZYIWFAPZJPEABD-UHFFFAOYSA-N
XLogP3.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol
CID 79061239
1-(2,6-dichlorophenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine
CID 79063654
1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79064420
1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64769319
1-(2,6-dichlorophenyl)pentane-2,3-diol
CID 103454648
1-(2,6-dichlorophenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine
CID 79052907
1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 104800312
1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 107359559
1-(4-amino-3-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79063484
1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79062858
[1-(2,6-dichlorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105293201
1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79046022

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol (CID 79064295) is 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol is CCC(C)(C(O)Cc1c(Cl)cccc1Cl)N(C)C.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol?
The InChIKey is ZYIWFAPZJPEABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-5-14(2,17(3)4)13(18)9-10-11(15)7-6-8-12(10)16/h6-8,13,18H,5,9H2,1-4H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol?
1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylpentan-2-ol has a molecular weight of 290.23 g/mol, XLogP of 3.63, 5 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-methylpentan-2-ol is sourced from PubChem (CID 79064295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).