N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C12H14F5NO2 — CID 60732644

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)Oc1ccccc1CNCCOCC(F)(F)F
InChIInChI=1S/C12H14F5NO2/c13-11(14)20-10-4-2-1-3-9(10)7-18-5-6-19-8-12(15,16)17/h1-4,11,18H,5-8H2
InChIKeyGRVMSNHJDZUKPO-UHFFFAOYSA-N
MW299.24 g/mol
LogP2.96
Rot. Bonds8

About N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 60732644) has the molecular formula C12H14F5NO2 and a molecular weight of 299.24 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID60732644
Molecular FormulaC12H14F5NO2
Molecular Weight299.24 g/mol
Exact Mass299.09
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)Oc1ccccc1CNCCOCC(F)(F)F
InChIInChI=1S/C12H14F5NO2/c13-11(14)20-10-4-2-1-3-9(10)7-18-5-6-19-8-12(15,16)17/h1-4,11,18H,5-8H2
InChIKeyGRVMSNHJDZUKPO-UHFFFAOYSA-N
XLogP2.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55031855
N-[(2-prop-2-ynoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60733192
2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]aniline
CID 66417301
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324
N-(isoquinolin-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 115748229
1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol
CID 111468040
2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea
CID 83109474
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
N-[[2-(difluoromethoxy)phenyl]methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103720660
1-[2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
CID 82715760
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 60732644) is N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)Oc1ccccc1CNCCOCC(F)(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is GRVMSNHJDZUKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5NO2/c13-11(14)20-10-4-2-1-3-9(10)7-18-5-6-19-8-12(15,16)17/h1-4,11,18H,5-8H2.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 299.24 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 60732644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).