2-[(2-chloro-4-methylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol

C12H16ClF2NO — CID 107485069

IUPAC2-[(2-chloro-4-methylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESCc1ccc(CN(CCO)CC(F)F)c(Cl)c1
InChIInChI=1S/C12H16ClF2NO/c1-9-2-3-10(11(13)6-9)7-16(4-5-17)8-12(14)15/h2-3,6,12,17H,4-5,7-8H2,1H3
InChIKeyGJOFRYVZAKINPS-UHFFFAOYSA-N
MW263.71 g/mol
LogP2.71
Rot. Bonds6

About 2-[(2-chloro-4-methylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol

2-[(2-chloro-4-methylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107485069) has the molecular formula C12H16ClF2NO and a molecular weight of 263.71 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107485069
Molecular FormulaC12H16ClF2NO
Molecular Weight263.71 g/mol
Exact Mass263.09
IUPAC Name2-[(2-chloro-4-methylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESCc1ccc(CN(CCO)CC(F)F)c(Cl)c1
InChIInChI=1S/C12H16ClF2NO/c1-9-2-3-10(11(13)6-9)7-16(4-5-17)8-12(14)15/h2-3,6,12,17H,4-5,7-8H2,1H3
InChIKeyGJOFRYVZAKINPS-UHFFFAOYSA-N
XLogP2.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-4-methylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107485767
2-[(2,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 35268423
2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107479153
2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol
CID 107485375
1-[5-chloro-3-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-hydroxyphenyl]ethanone
CID 107481196
3-[(2-chloro-4-methylphenyl)methyl-ethylamino]-2-methylpropanoic acid
CID 106865226
2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484838
methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 106869252
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484946
4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 107480838
2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol
CID 107485496
2-[(6-chloropyridazin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107479149

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol (CID 107485069) is 2-[(2-chloro-4-methylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol is Cc1ccc(CN(CCO)CC(F)F)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is GJOFRYVZAKINPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF2NO/c1-9-2-3-10(11(13)6-9)7-16(4-5-17)8-12(14)15/h2-3,6,12,17H,4-5,7-8H2,1H3.
What are the key properties of 2-[(2-chloro-4-methylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol?
2-[(2-chloro-4-methylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 263.71 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107485069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).