1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol

C13H19Cl2NO2 — CID 65106659

IUPAC1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO2/c1-3-13(2,18)8-16-7-12(17)10-6-9(14)4-5-11(10)15/h4-6,12,16-18H,3,7-8H2,1-2H3
InChIKeyATMJUZFXTIWSPG-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.78
Rot. Bonds6

About 1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol

1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol (PubChem CID 65106659) has the molecular formula C13H19Cl2NO2 and a molecular weight of 292.21 g/mol. Its IUPAC name is 1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol
PubChem CID65106659
Molecular FormulaC13H19Cl2NO2
Molecular Weight292.21 g/mol
Exact Mass291.08
IUPAC Name1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO2/c1-3-13(2,18)8-16-7-12(17)10-6-9(14)4-5-11(10)15/h4-6,12,16-18H,3,7-8H2,1-2H3
InChIKeyATMJUZFXTIWSPG-UHFFFAOYSA-N
XLogP2.78
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol
CID 65106313
2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol
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1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol
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1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247006
1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol
CID 62118576
1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027501
1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 102615748
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol
CID 81355780
3-[2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea
CID 83120511

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol (CID 65106659) is 1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol is CCC(C)(O)CNCC(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol?
The InChIKey is ATMJUZFXTIWSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2/c1-3-13(2,18)8-16-7-12(17)10-6-9(14)4-5-11(10)15/h4-6,12,16-18H,3,7-8H2,1-2H3.
What are the key properties of 1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol?
1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol has a molecular weight of 292.21 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 65106659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).