N-(2-benzhydryloxyethyl)-2-[2-(trifluoromethyl)phenyl]ethanamine

C24H24F3NO — CID 19806385

IUPACN-(2-benzhydryloxyethyl)-2-[2-(trifluoromethyl)phenyl]ethanamine
SMILESFC(F)(F)c1ccccc1CCNCCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24F3NO/c25-24(26,27)22-14-8-7-9-19(22)15-16-28-17-18-29-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-14,23,28H,15-18H2
InChIKeyBWDQAMKCYSVYFH-UHFFFAOYSA-N
MW399.46 g/mol
LogP5.64
Rot. Bonds9

About N-(2-benzhydryloxyethyl)-2-[2-(trifluoromethyl)phenyl]ethanamine

N-(2-benzhydryloxyethyl)-2-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 19806385) has the molecular formula C24H24F3NO and a molecular weight of 399.46 g/mol. Its IUPAC name is N-(2-benzhydryloxyethyl)-2-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-(2-benzhydryloxyethyl)-2-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID19806385
Molecular FormulaC24H24F3NO
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC NameN-(2-benzhydryloxyethyl)-2-[2-(trifluoromethyl)phenyl]ethanamine
SMILESFC(F)(F)c1ccccc1CCNCCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24F3NO/c25-24(26,27)22-14-8-7-9-19(22)15-16-28-17-18-29-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-14,23,28H,15-18H2
InChIKeyBWDQAMKCYSVYFH-UHFFFAOYSA-N
XLogP5.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.46
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzhydryloxyethyl)-2-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-(2-benzhydryloxyethyl)-2-[2-(trifluoromethyl)phenyl]ethanamine (CID 19806385) is N-(2-benzhydryloxyethyl)-2-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-(2-benzhydryloxyethyl)-2-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-(2-benzhydryloxyethyl)-2-[2-(trifluoromethyl)phenyl]ethanamine is FC(F)(F)c1ccccc1CCNCCOC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-benzhydryloxyethyl)-2-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is BWDQAMKCYSVYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO/c25-24(26,27)22-14-8-7-9-19(22)15-16-28-17-18-29-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-14,23,28H,15-18H2.
What are the key properties of N-(2-benzhydryloxyethyl)-2-[2-(trifluoromethyl)phenyl]ethanamine?
N-(2-benzhydryloxyethyl)-2-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 399.46 g/mol, XLogP of 5.64, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzhydryloxyethyl)-2-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 19806385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).