N-[[2-(trifluoromethoxymethyl)phenyl]methyl]propan-2-amine

C12H16F3NO — CID 165374238

IUPACN-[[2-(trifluoromethoxymethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1COC(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-9(2)16-7-10-5-3-4-6-11(10)8-17-12(13,14)15/h3-6,9,16H,7-8H2,1-2H3
InChIKeySYXWTMMSKYUCBF-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.22
Rot. Bonds5

About N-[[2-(trifluoromethoxymethyl)phenyl]methyl]propan-2-amine

N-[[2-(trifluoromethoxymethyl)phenyl]methyl]propan-2-amine (PubChem CID 165374238) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is N-[[2-(trifluoromethoxymethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(trifluoromethoxymethyl)phenyl]methyl]propan-2-amine
PubChem CID165374238
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC NameN-[[2-(trifluoromethoxymethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1COC(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-9(2)16-7-10-5-3-4-6-11(10)8-17-12(13,14)15/h3-6,9,16H,7-8H2,1-2H3
InChIKeySYXWTMMSKYUCBF-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethoxymethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(trifluoromethoxymethyl)phenyl]methyl]propan-2-amine (CID 165374238) is N-[[2-(trifluoromethoxymethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(trifluoromethoxymethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(trifluoromethoxymethyl)phenyl]methyl]propan-2-amine is CC(C)NCc1ccccc1COC(F)(F)F.
What is the InChIKey of N-[[2-(trifluoromethoxymethyl)phenyl]methyl]propan-2-amine?
The InChIKey is SYXWTMMSKYUCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-9(2)16-7-10-5-3-4-6-11(10)8-17-12(13,14)15/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of N-[[2-(trifluoromethoxymethyl)phenyl]methyl]propan-2-amine?
N-[[2-(trifluoromethoxymethyl)phenyl]methyl]propan-2-amine has a molecular weight of 247.26 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethoxymethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 165374238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).