N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine

C16H16F3NO — CID 54230124

IUPACN-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine
SMILESCCNOC(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO/c1-2-20-21-15(12-6-4-3-5-7-12)13-8-10-14(11-9-13)16(17,18)19/h3-11,15,20H,2H2,1H3
InChIKeyQIQRYUXTLHUNKF-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.34
Rot. Bonds5

About N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine

N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine (PubChem CID 54230124) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine.

Molecular Properties

Compound NameN-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine
PubChem CID54230124
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine
SMILESCCNOC(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO/c1-2-20-21-15(12-6-4-3-5-7-12)13-8-10-14(11-9-13)16(17,18)19/h3-11,15,20H,2H2,1H3
InChIKeyQIQRYUXTLHUNKF-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
The IUPAC name of N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine (CID 54230124) is N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine.
What is the SMILES notation for N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
The canonical SMILES for N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine is CCNOC(c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
The InChIKey is QIQRYUXTLHUNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-2-20-21-15(12-6-4-3-5-7-12)13-8-10-14(11-9-13)16(17,18)19/h3-11,15,20H,2H2,1H3.
What are the key properties of N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine has a molecular weight of 295.30 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine is sourced from PubChem (CID 54230124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).