2,6-dichloro-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline

C12H15Cl2F3N2 — CID 82833187

IUPAC2,6-dichloro-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline
SMILESCC(C)N(Cc1cc(Cl)c(N)c(Cl)c1)CC(F)(F)F
InChIInChI=1S/C12H15Cl2F3N2/c1-7(2)19(6-12(15,16)17)5-8-3-9(13)11(18)10(14)4-8/h3-4,7H,5-6,18H2,1-2H3
InChIKeyYJLJZVPJRVJRRA-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.35
Rot. Bonds4

About 2,6-dichloro-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline

2,6-dichloro-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline (PubChem CID 82833187) has the molecular formula C12H15Cl2F3N2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2,6-dichloro-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline
PubChem CID82833187
Molecular FormulaC12H15Cl2F3N2
Molecular Weight315.17 g/mol
Exact Mass314.06
IUPAC Name2,6-dichloro-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline
SMILESCC(C)N(Cc1cc(Cl)c(N)c(Cl)c1)CC(F)(F)F
InChIInChI=1S/C12H15Cl2F3N2/c1-7(2)19(6-12(15,16)17)5-8-3-9(13)11(18)10(14)4-8/h3-4,7H,5-6,18H2,1-2H3
InChIKeyYJLJZVPJRVJRRA-UHFFFAOYSA-N
XLogP4.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The IUPAC name of 2,6-dichloro-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline (CID 82833187) is 2,6-dichloro-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The canonical SMILES for 2,6-dichloro-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline is CC(C)N(Cc1cc(Cl)c(N)c(Cl)c1)CC(F)(F)F.
What is the InChIKey of 2,6-dichloro-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The InChIKey is YJLJZVPJRVJRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2F3N2/c1-7(2)19(6-12(15,16)17)5-8-3-9(13)11(18)10(14)4-8/h3-4,7H,5-6,18H2,1-2H3.
What are the key properties of 2,6-dichloro-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline?
2,6-dichloro-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline has a molecular weight of 315.17 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline is sourced from PubChem (CID 82833187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).