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

C14H20F3NO — CID 3057530

IUPACN-(2-ethoxyethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCCOCCNC(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-3-19-8-7-18-11(2)9-12-5-4-6-13(10-12)14(15,16)17/h4-6,10-11,18H,3,7-9H2,1-2H3
InChIKeyCOMMVUADGSWDNR-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.26
Rot. Bonds7

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

N-(2-ethoxyethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 3057530) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID3057530
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-(2-ethoxyethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCCOCCNC(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-3-19-8-7-18-11(2)9-12-5-4-6-13(10-12)14(15,16)17/h4-6,10-11,18H,3,7-9H2,1-2H3
InChIKeyCOMMVUADGSWDNR-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-ethoxyethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of N-(2-ethoxyethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 3057530) is N-(2-ethoxyethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for N-(2-ethoxyethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine is CCOCCNC(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-ethoxyethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is COMMVUADGSWDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-3-19-8-7-18-11(2)9-12-5-4-6-13(10-12)14(15,16)17/h4-6,10-11,18H,3,7-9H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
N-(2-ethoxyethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 275.31 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 3057530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).