2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol

C12H18Cl2N2O — CID 61054329

IUPAC2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
SMILESCN(C)CCNC(CO)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H18Cl2N2O/c1-16(2)7-6-15-11(8-17)12-9(13)4-3-5-10(12)14/h3-5,11,15,17H,6-8H2,1-2H3
InChIKeyJVTAUQPKRQMQIC-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.18
Rot. Bonds6

About 2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol

2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol (PubChem CID 61054329) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
PubChem CID61054329
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
SMILESCN(C)CCNC(CO)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H18Cl2N2O/c1-16(2)7-6-15-11(8-17)12-9(13)4-3-5-10(12)14/h3-5,11,15,17H,6-8H2,1-2H3
InChIKeyJVTAUQPKRQMQIC-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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Related Compounds

2-(2-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61054534
2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61056763
2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 61054951
ethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate
CID 104816553
2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol
CID 61053912
2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol
CID 55245379
2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
CID 54895368
2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol
CID 61055196
2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 60996063
2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 66480263
2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049935
2-(3-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 115381058

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
The IUPAC name of 2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol (CID 61054329) is 2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
The canonical SMILES for 2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol is CN(C)CCNC(CO)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
The InChIKey is JVTAUQPKRQMQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O/c1-16(2)7-6-15-11(8-17)12-9(13)4-3-5-10(12)14/h3-5,11,15,17H,6-8H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
2-(2,6-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-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol is sourced from PubChem (CID 61054329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).