2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol

C12H18Cl2N2O — CID 61056763

IUPAC2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
SMILESCN(C)CCNC(CO)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H18Cl2N2O/c1-16(2)4-3-15-12(8-17)9-5-10(13)7-11(14)6-9/h5-7,12,15,17H,3-4,8H2,1-2H3
InChIKeyTXAFFPDMUWBIKY-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.18
Rot. Bonds6

About 2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol

2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol (PubChem CID 61056763) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
PubChem CID61056763
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
SMILESCN(C)CCNC(CO)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H18Cl2N2O/c1-16(2)4-3-15-12(8-17)9-5-10(13)7-11(14)6-9/h5-7,12,15,17H,3-4,8H2,1-2H3
InChIKeyTXAFFPDMUWBIKY-UHFFFAOYSA-N
XLogP2.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
The IUPAC name of 2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol (CID 61056763) is 2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
The canonical SMILES for 2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol is CN(C)CCNC(CO)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
The InChIKey is TXAFFPDMUWBIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O/c1-16(2)4-3-15-12(8-17)9-5-10(13)7-11(14)6-9/h5-7,12,15,17H,3-4,8H2,1-2H3.
What are the key properties of 2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol has a molecular weight of 277.19 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol is sourced from PubChem (CID 61056763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).