N-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine

C12H16F3N — CID 84726402

IUPACN-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
SMILESCNC(C)Cc1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C12H16F3N/c1-9(16-2)7-10-3-5-11(6-4-10)8-12(13,14)15/h3-6,9,16H,7-8H2,1-2H3
InChIKeyWMKSDNGEWCHVAV-UHFFFAOYSA-N
MW231.26 g/mol
LogP2.94
Rot. Bonds4

About N-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine

N-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine (PubChem CID 84726402) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is N-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
PubChem CID84726402
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC NameN-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
SMILESCNC(C)Cc1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C12H16F3N/c1-9(16-2)7-10-3-5-11(6-4-10)8-12(13,14)15/h3-6,9,16H,7-8H2,1-2H3
InChIKeyWMKSDNGEWCHVAV-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine?
The IUPAC name of N-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine (CID 84726402) is N-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine?
The canonical SMILES for N-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine is CNC(C)Cc1ccc(CC(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine?
The InChIKey is WMKSDNGEWCHVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-9(16-2)7-10-3-5-11(6-4-10)8-12(13,14)15/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of N-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine?
N-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine has a molecular weight of 231.26 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine is sourced from PubChem (CID 84726402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).