1,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine

C16H16F3NO — CID 82712825

IUPAC1,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)CONC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)12-21-20-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15,20H,11-12H2
InChIKeyOMAAQXZPKPOBSZ-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.05
Rot. Bonds6

About 1,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine

1,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 82712825) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID82712825
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)CONC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)12-21-20-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15,20H,11-12H2
InChIKeyOMAAQXZPKPOBSZ-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.05
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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Related Compounds

1-phenyl-N-(2,2,2-trifluoroethoxy)butan-2-amine
CID 82711434
N-[(1S)-1,2-diphenylethyl]hydroxylamine
CID 163358827
N-(1,2-diphenylethyl)hydroxylamine
CID 82685199
N-benzhydryl-1,2-diphenylethanamine
CID 101366117
N-(2-fluoroethyl)-1,2-diphenylethanamine
CID 113247505
3,3-dimethyl-1-phenyl-N-phenylmethoxybutan-1-amine
CID 82712727
N-[(1S)-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 163444652
2-[(3,3,3-trifluoro-1-phenylpropyl)amino]oxyacetamide
CID 112672830
[1-phenyl-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217246
N-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 82710637
1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine
CID 82710634
methyl N-(1,2-diphenylethyl)carbamate
CID 139785732

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine (CID 82712825) is 1,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)CONC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is OMAAQXZPKPOBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)12-21-20-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15,20H,11-12H2.
What are the key properties of 1,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine?
1,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 295.30 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 82712825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).