2-(2-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol

C12H18ClFN2O — CID 61054534

IUPAC2-(2-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
SMILESCN(C)CCNC(CO)c1c(F)cccc1Cl
InChIInChI=1S/C12H18ClFN2O/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
InChIKeyRLBDNJXLPPLTTO-UHFFFAOYSA-N
MW260.74 g/mol
LogP1.66
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol

2-(2-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol (PubChem CID 61054534) has the molecular formula C12H18ClFN2O and a molecular weight of 260.74 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
PubChem CID61054534
Molecular FormulaC12H18ClFN2O
Molecular Weight260.74 g/mol
Exact Mass260.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
SMILESCN(C)CCNC(CO)c1c(F)cccc1Cl
InChIInChI=1S/C12H18ClFN2O/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
InChIKeyRLBDNJXLPPLTTO-UHFFFAOYSA-N
XLogP1.66
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61054329
2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 61054951
3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]propan-1-ol
CID 65377412
2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol
CID 55245379
2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol
CID 61053912
2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61056763
1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066046
1-(2-chloro-6-fluorophenyl)-3-methyl-N-propylhexan-1-amine
CID 115845692
3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol
CID 113484777
1-(2-chloro-6-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616201
1-(4-chloro-3-fluorophenyl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
CID 65384161
ethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate
CID 104816553

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol (CID 61054534) is 2-(2-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol is CN(C)CCNC(CO)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
The InChIKey is RLBDNJXLPPLTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2O/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-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
2-(2-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol has a molecular weight of 260.74 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol is sourced from PubChem (CID 61054534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).