[3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine

C12H16F3NO2 — CID 82955995

IUPAC[3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine
SMILESNCc1cccc(OCCOCCC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO2/c13-12(14,15)4-5-17-6-7-18-11-3-1-2-10(8-11)9-16/h1-3,8H,4-7,9,16H2
InChIKeyFMUOTNNKPZFMAD-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.49
Rot. Bonds7

About [3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine

[3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine (PubChem CID 82955995) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is [3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine
PubChem CID82955995
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name[3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine
SMILESNCc1cccc(OCCOCCC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO2/c13-12(14,15)4-5-17-6-7-18-11-3-1-2-10(8-11)9-16/h1-3,8H,4-7,9,16H2
InChIKeyFMUOTNNKPZFMAD-UHFFFAOYSA-N
XLogP2.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.49
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

[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185
[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine
CID 79679962
[3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride
CID 131887014
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654
[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 43254178
3-[2-[2-[2-[2-[2-[3-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;hydrochloride
CID 164593214
1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64566554
3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide
CID 174751701
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430

Frequently Asked Questions

What is the IUPAC name of [3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine (CID 82955995) is [3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine is NCc1cccc(OCCOCCC(F)(F)F)c1.
What is the InChIKey of [3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine?
The InChIKey is FMUOTNNKPZFMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c13-12(14,15)4-5-17-6-7-18-11-3-1-2-10(8-11)9-16/h1-3,8H,4-7,9,16H2.
What are the key properties of [3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine?
[3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine has a molecular weight of 263.26 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 82955995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).