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

C13H18F3NO — CID 55134831

IUPACN-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCOCCNCCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c1-18-9-8-17-7-3-5-11-4-2-6-12(10-11)13(14,15)16/h2,4,6,10,17H,3,5,7-9H2,1H3
InChIKeyPQTXFIWGXNUWDB-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.87
Rot. Bonds7

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

N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 55134831) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID55134831
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCOCCNCCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c1-18-9-8-17-7-3-5-11-4-2-6-12(10-11)13(14,15)16/h2,4,6,10,17H,3,5,7-9H2,1H3
InChIKeyPQTXFIWGXNUWDB-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 28673176
3-[3-(2-methoxyethylamino)propyl]aniline
CID 115342052
2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 62596429
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
methoxy-dimethyl-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90172470
N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 82714881
N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115592418
1-[4-(2-sulfosulfanylethylamino)butyl]-3-(trifluoromethyl)benzene
CID 154347902
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90173460
2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 113220833

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine (CID 55134831) is N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine is COCCNCCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is PQTXFIWGXNUWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-18-9-8-17-7-3-5-11-4-2-6-12(10-11)13(14,15)16/h2,4,6,10,17H,3,5,7-9H2,1H3.
What are the key properties of N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 55134831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).