4-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethylaniline

C11H15F3N2 — CID 63897166

IUPAC4-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(C)(N)C(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2/c1-10(15,11(12,13)14)8-4-6-9(7-5-8)16(2)3/h4-7H,15H2,1-3H3
InChIKeyLBMYONJCDWKXLZ-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.49
Rot. Bonds2

About 4-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethylaniline

4-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethylaniline (PubChem CID 63897166) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 4-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethylaniline
PubChem CID63897166
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name4-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(C)(N)C(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2/c1-10(15,11(12,13)14)8-4-6-9(7-5-8)16(2)3/h4-7H,15H2,1-3H3
InChIKeyLBMYONJCDWKXLZ-UHFFFAOYSA-N
XLogP2.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethylaniline (CID 63897166) is 4-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(C(C)(N)C(F)(F)F)cc1.
What is the InChIKey of 4-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethylaniline?
The InChIKey is LBMYONJCDWKXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-10(15,11(12,13)14)8-4-6-9(7-5-8)16(2)3/h4-7H,15H2,1-3H3.
What are the key properties of 4-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethylaniline?
4-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethylaniline has a molecular weight of 232.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 63897166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).