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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61054329
2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol
CID 55245379
2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 66480263
2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol
CID 61053912
2-[2-(dimethylamino)ethylamino]-2-(6-methoxynaphthalen-2-yl)ethanol
CID 61055334
2-[2-(dimethylamino)ethylamino]-2-(4-methoxy-3-methylphenyl)ethanol
CID 62132457
2-(2-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61054534
2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61044931
2-(3,5-dichlorophenyl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83011513
2-(3-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 115381058
N-[(1R)-1-(3-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30071409
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43754801

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).