N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine

C16H16F3NO — CID 82712529

IUPACN-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NOCc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO/c1-12(20-21-11-13-5-3-2-4-6-13)14-7-9-15(10-8-14)16(17,18)19/h2-10,12,20H,11H2,1H3
InChIKeyDYEDPWDZUUIGIE-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.49
Rot. Bonds5

About N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine

N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 82712529) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID82712529
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NOCc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO/c1-12(20-21-11-13-5-3-2-4-6-13)14-7-9-15(10-8-14)16(17,18)19/h2-10,12,20H,11H2,1H3
InChIKeyDYEDPWDZUUIGIE-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
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-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 82712529) is N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine is CC(NOCc1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is DYEDPWDZUUIGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-12(20-21-11-13-5-3-2-4-6-13)14-7-9-15(10-8-14)16(17,18)19/h2-10,12,20H,11H2,1H3.
What are the key properties of N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine?
N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 295.30 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 82712529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).