1-(2-chloro-4,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine

C11H13ClF3N — CID 115483827

IUPAC1-(2-chloro-4,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine
SMILESCNC(c1cc(C)c(C)cc1Cl)C(F)(F)F
InChIInChI=1S/C11H13ClF3N/c1-6-4-8(9(12)5-7(6)2)10(16-3)11(13,14)15/h4-5,10,16H,1-3H3
InChIKeyDLJSVXFIWWBCFK-UHFFFAOYSA-N
MW251.68 g/mol
LogP3.78
Rot. Bonds2

About 1-(2-chloro-4,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine

1-(2-chloro-4,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine (PubChem CID 115483827) has the molecular formula C11H13ClF3N and a molecular weight of 251.68 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine
PubChem CID115483827
Molecular FormulaC11H13ClF3N
Molecular Weight251.68 g/mol
Exact Mass251.07
IUPAC Name1-(2-chloro-4,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine
SMILESCNC(c1cc(C)c(C)cc1Cl)C(F)(F)F
InChIInChI=1S/C11H13ClF3N/c1-6-4-8(9(12)5-7(6)2)10(16-3)11(13,14)15/h4-5,10,16H,1-3H3
InChIKeyDLJSVXFIWWBCFK-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4,5-dimethylphenyl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
CID 115483964
1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine
CID 61271013
1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine
CID 43483752
1-(4-chloro-2,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103309678
2,2,2-trifluoro-N-methyl-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43483979
1-(2-chloro-4,5-dimethylphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 115483862
1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 115483965
1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113319429
2,2,2-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
CID 65299585
1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine
CID 113319435
1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115483934
1-(1-bromo-2,2-dimethylpropyl)-2-chloro-4,5-dimethylbenzene
CID 115484786

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine (CID 115483827) is 1-(2-chloro-4,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for 1-(2-chloro-4,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for 1-(2-chloro-4,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine is CNC(c1cc(C)c(C)cc1Cl)C(F)(F)F.
What is the InChIKey of 1-(2-chloro-4,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is DLJSVXFIWWBCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N/c1-6-4-8(9(12)5-7(6)2)10(16-3)11(13,14)15/h4-5,10,16H,1-3H3.
What are the key properties of 1-(2-chloro-4,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine?
1-(2-chloro-4,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 251.68 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 115483827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).