N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine

C11H14F3N — CID 3044050

IUPACN-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCNC(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3N/c1-8(15-2)6-9-4-3-5-10(7-9)11(12,13)14/h3-5,7-8,15H,6H2,1-2H3
InChIKeyWAUORSZPKUHOSM-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.86
Rot. Bonds3

About N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine

N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 3044050) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID3044050
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC NameN-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCNC(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3N/c1-8(15-2)6-9-4-3-5-10(7-9)11(12,13)14/h3-5,7-8,15H,6H2,1-2H3
InChIKeyWAUORSZPKUHOSM-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 3044050) is N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine is CNC(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is WAUORSZPKUHOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-8(15-2)6-9-4-3-5-10(7-9)11(12,13)14/h3-5,7-8,15H,6H2,1-2H3.
What are the key properties of N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 217.23 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 3044050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).