2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

C13H26F3NO — CID 62598118

IUPAC2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCCC(CC)COC(C)CNCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-4-6-7-12(5-2)9-18-11(3)8-17-10-13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyAZHJUKDZXRAYKL-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.76
Rot. Bonds10

About 2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62598118) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62598118
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Name2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCCC(CC)COC(C)CNCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-4-6-7-12(5-2)9-18-11(3)8-17-10-13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyAZHJUKDZXRAYKL-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 103285826
2-(2-ethylhexoxy)-N-methylpropan-1-amine
CID 62336461
2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598311
3-(difluoromethoxymethyl)heptane
CID 162429038
2-methyl-N-(2,2,2-trifluoroethyl)decan-1-amine
CID 114899272
2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62567457
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 112590123
2-ethyl-N-(2-methoxypropyl)hexan-1-amine
CID 102697932
2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 82983950
3-(1-ethoxyethoxymethyl)heptane
CID 173293823
4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 64727764
(2S)-2-(2-ethylhexoxy)propanoic acid
CID 104875836

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62598118) is 2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCCC(CC)COC(C)CNCC(F)(F)F.
What is the InChIKey of 2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is AZHJUKDZXRAYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-4-6-7-12(5-2)9-18-11(3)8-17-10-13(14,15)16/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62598118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).