N-[[2-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine

C14H20F3NO2 — CID 82959122

IUPACN-[[2-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCOCCC(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-2-18-11-12-5-3-4-6-13(12)20-10-9-19-8-7-14(15,16)17/h3-6,18H,2,7-11H2,1H3
InChIKeyRZGPMZCHYSZXHB-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.14
Rot. Bonds9

About N-[[2-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine

N-[[2-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine (PubChem CID 82959122) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[[2-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine
PubChem CID82959122
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC NameN-[[2-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCOCCC(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-2-18-11-12-5-3-4-6-13(12)20-10-9-19-8-7-14(15,16)17/h3-6,18H,2,7-11H2,1H3
InChIKeyRZGPMZCHYSZXHB-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.14
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-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 43277259
N-[[2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]phenyl]methyl]ethanamine
CID 66274881
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 55073215
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 62453952
N-[[4-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine
CID 82959534
3-[2-(ethylaminomethyl)phenoxy]propanamide
CID 43277204
N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62457882
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 113223004
2-methyl-N-[[2-(4,4,4-trifluorobutoxy)phenyl]methyl]propan-2-amine
CID 115513209
N-[(2-but-3-ynoxyphenyl)methyl]ethanamine
CID 60881032
6-[2-(ethylaminomethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106708767
2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol
CID 63063933

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine (CID 82959122) is N-[[2-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine is CCNCc1ccccc1OCCOCCC(F)(F)F.
What is the InChIKey of N-[[2-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is RZGPMZCHYSZXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-2-18-11-12-5-3-4-6-13(12)20-10-9-19-8-7-14(15,16)17/h3-6,18H,2,7-11H2,1H3.
What are the key properties of N-[[2-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine?
N-[[2-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 291.31 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 82959122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).