N-methylethanamine;4-(trifluoromethoxy)benzaldehyde

C11H14F3NO2 — CID 171100197

IUPACN-methylethanamine;4-(trifluoromethoxy)benzaldehyde
SMILESCCNC.O=Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H5F3O2.C3H9N/c9-8(10,11)13-7-3-1-6(5-12)2-4-7;1-3-4-2/h1-5H;4H,3H2,1-2H3
InChIKeyNSJPVRWXTZAMTJ-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.62
Rot. Bonds3

About N-methylethanamine;4-(trifluoromethoxy)benzaldehyde

N-methylethanamine;4-(trifluoromethoxy)benzaldehyde (PubChem CID 171100197) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is N-methylethanamine;4-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound NameN-methylethanamine;4-(trifluoromethoxy)benzaldehyde
PubChem CID171100197
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC NameN-methylethanamine;4-(trifluoromethoxy)benzaldehyde
SMILESCCNC.O=Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H5F3O2.C3H9N/c9-8(10,11)13-7-3-1-6(5-12)2-4-7;1-3-4-2/h1-5H;4H,3H2,1-2H3
InChIKeyNSJPVRWXTZAMTJ-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylethanamine;4-(trifluoromethoxy)benzaldehyde?
The IUPAC name of N-methylethanamine;4-(trifluoromethoxy)benzaldehyde (CID 171100197) is N-methylethanamine;4-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for N-methylethanamine;4-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for N-methylethanamine;4-(trifluoromethoxy)benzaldehyde is CCNC.O=Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-methylethanamine;4-(trifluoromethoxy)benzaldehyde?
The InChIKey is NSJPVRWXTZAMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3O2.C3H9N/c9-8(10,11)13-7-3-1-6(5-12)2-4-7;1-3-4-2/h1-5H;4H,3H2,1-2H3.
What are the key properties of N-methylethanamine;4-(trifluoromethoxy)benzaldehyde?
N-methylethanamine;4-(trifluoromethoxy)benzaldehyde has a molecular weight of 249.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanamine;4-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 171100197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).