N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine

C10H12F3NO2 — CID 60727411

IUPACN-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCCONCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO2/c1-2-15-14-7-8-3-5-9(6-4-8)16-10(11,12)13/h3-6,14H,2,7H2,1H3
InChIKeyRROVDSRRWWBKEV-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.63
Rot. Bonds5

About N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine

N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 60727411) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID60727411
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC NameN-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCCONCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO2/c1-2-15-14-7-8-3-5-9(6-4-8)16-10(11,12)13/h3-6,14H,2,7H2,1H3
InChIKeyRROVDSRRWWBKEV-UHFFFAOYSA-N
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine 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-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine (CID 60727411) is N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine is CCONCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is RROVDSRRWWBKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-2-15-14-7-8-3-5-9(6-4-8)16-10(11,12)13/h3-6,14H,2,7H2,1H3.
What are the key properties of N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine?
N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 235.20 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 60727411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).