N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine

C15H21F3N2O2 — CID 54359408

IUPACN-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine
SMILESCOCCCC=C(NOCCN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h4-8,20H,2-3,9-11,19H2,1H3
InChIKeyULLDORSXPWEBFG-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.95
Rot. Bonds9

About N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine

N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine (PubChem CID 54359408) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine.

Molecular Properties

Compound NameN-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine
PubChem CID54359408
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC NameN-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine
SMILESCOCCCC=C(NOCCN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h4-8,20H,2-3,9-11,19H2,1H3
InChIKeyULLDORSXPWEBFG-UHFFFAOYSA-N
XLogP2.95
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-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-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine?
The IUPAC name of N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine (CID 54359408) is N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine.
What is the SMILES notation for N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine?
The canonical SMILES for N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine is COCCCC=C(NOCCN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine?
The InChIKey is ULLDORSXPWEBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h4-8,20H,2-3,9-11,19H2,1H3.
What are the key properties of N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine?
N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine has a molecular weight of 318.34 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine is sourced from PubChem (CID 54359408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).