4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline

C11H13F5N2 — CID 55236382

IUPAC4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCN(CC(F)(F)F)c1c(F)cc(CCN)cc1F
InChIInChI=1S/C11H13F5N2/c1-18(6-11(14,15)16)10-8(12)4-7(2-3-17)5-9(10)13/h4-5H,2-3,6,17H2,1H3
InChIKeyMPWJVOFIKBHBEI-UHFFFAOYSA-N
MW268.23 g/mol
LogP2.46
Rot. Bonds4

About 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline

4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 55236382) has the molecular formula C11H13F5N2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID55236382
Molecular FormulaC11H13F5N2
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCN(CC(F)(F)F)c1c(F)cc(CCN)cc1F
InChIInChI=1S/C11H13F5N2/c1-18(6-11(14,15)16)10-8(12)4-7(2-3-17)5-9(10)13/h4-5H,2-3,6,17H2,1H3
InChIKeyMPWJVOFIKBHBEI-UHFFFAOYSA-N
XLogP2.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline (CID 55236382) is 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline is CN(CC(F)(F)F)c1c(F)cc(CCN)cc1F.
What is the InChIKey of 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is MPWJVOFIKBHBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5N2/c1-18(6-11(14,15)16)10-8(12)4-7(2-3-17)5-9(10)13/h4-5H,2-3,6,17H2,1H3.
What are the key properties of 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 268.23 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 55236382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).