1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol

C13H20ClNO2 — CID 111336418

IUPAC1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(O)c1ccc(Cl)cc1)CC(C)(C)O
InChIInChI=1S/C13H20ClNO2/c1-13(2,17)9-15(3)8-12(16)10-4-6-11(14)7-5-10/h4-7,12,16-17H,8-9H2,1-3H3
InChIKeyADVKWIJWKBTEAF-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.08
Rot. Bonds5

About 1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol

1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol (PubChem CID 111336418) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
PubChem CID111336418
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(O)c1ccc(Cl)cc1)CC(C)(C)O
InChIInChI=1S/C13H20ClNO2/c1-13(2,17)9-15(3)8-12(16)10-4-6-11(14)7-5-10/h4-7,12,16-17H,8-9H2,1-3H3
InChIKeyADVKWIJWKBTEAF-UHFFFAOYSA-N
XLogP2.08
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
CID 110908142
1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
CID 111108072
1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 111122688
1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027660
1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
CID 111463163
1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
CID 111565148
(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
CID 39247269
1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol
CID 111336261
1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol
CID 111496501
(1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol
CID 2106515
1-(4-chlorophenyl)-5-methylhexan-1-ol
CID 83158277
1-[[2-(bromomethyl)-3,3-dimethylbutyl]-methylamino]-2-methylpropan-2-ol
CID 79389539

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol (CID 111336418) is 1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol is CN(CC(O)c1ccc(Cl)cc1)CC(C)(C)O.
What is the InChIKey of 1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is ADVKWIJWKBTEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-13(2,17)9-15(3)8-12(16)10-4-6-11(14)7-5-10/h4-7,12,16-17H,8-9H2,1-3H3.
What are the key properties of 1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol?
1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 257.76 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 111336418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).