2-[2-(2-methylpropoxy)ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine

C11H22F3NO2 — CID 106450234

IUPAC2-[2-(2-methylpropoxy)ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)COCCOC(C)CNCC(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-9(2)7-16-4-5-17-10(3)6-15-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyYLBYRAJEQVHCCB-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.22
Rot. Bonds9

About 2-[2-(2-methylpropoxy)ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine

2-[2-(2-methylpropoxy)ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 106450234) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-[2-(2-methylpropoxy)ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-[2-(2-methylpropoxy)ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID106450234
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC Name2-[2-(2-methylpropoxy)ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)COCCOC(C)CNCC(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-9(2)7-16-4-5-17-10(3)6-15-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyYLBYRAJEQVHCCB-UHFFFAOYSA-N
XLogP2.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.22
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

11,15-Dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 12717859
14,18-Dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 12717860
2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 62599025
N-methyl-2-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82959124
2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 104760288
N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine
CID 142616381
1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine
CID 155582675
ethane;1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine
CID 155706892
N-[2-(2-butoxyethoxy)ethyl]-1,2,2,2-tetrafluoroethanamine
CID 155740875
2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine
CID 157155082
2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]butan-1-amine
CID 157155085
N-[2-[2-(2,2-difluoropropoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine
CID 159353472

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropoxy)ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-[2-(2-methylpropoxy)ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 106450234) is 2-[2-(2-methylpropoxy)ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-[2-(2-methylpropoxy)ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-[2-(2-methylpropoxy)ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(C)COCCOC(C)CNCC(F)(F)F.
What is the InChIKey of 2-[2-(2-methylpropoxy)ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is YLBYRAJEQVHCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2/c1-9(2)7-16-4-5-17-10(3)6-15-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 2-[2-(2-methylpropoxy)ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-[2-(2-methylpropoxy)ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 257.30 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropoxy)ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 106450234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).