2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]-methylamino]ethanol

C13H20ClNO — CID 110174748

IUPAC2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]-methylamino]ethanol
SMILESCN(CCO)C(C)(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-13(2,15(3)8-9-16)10-11-4-6-12(14)7-5-11/h4-7,16H,8-10H2,1-3H3
InChIKeyOXFGZXDSTKBNJG-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.59
Rot. Bonds5

About 2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]-methylamino]ethanol

2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]-methylamino]ethanol (PubChem CID 110174748) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]-methylamino]ethanol
PubChem CID110174748
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]-methylamino]ethanol
SMILESCN(CCO)C(C)(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-13(2,15(3)8-9-16)10-11-4-6-12(14)7-5-11/h4-7,16H,8-10H2,1-3H3
InChIKeyOXFGZXDSTKBNJG-UHFFFAOYSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]-methylamino]ethanol?
The IUPAC name of 2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]-methylamino]ethanol (CID 110174748) is 2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]-methylamino]ethanol is CN(CCO)C(C)(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]-methylamino]ethanol?
The InChIKey is OXFGZXDSTKBNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-13(2,15(3)8-9-16)10-11-4-6-12(14)7-5-11/h4-7,16H,8-10H2,1-3H3.
What are the key properties of 2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]-methylamino]ethanol?
2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]-methylamino]ethanol has a molecular weight of 241.76 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]-methylamino]ethanol is sourced from PubChem (CID 110174748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).