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

C11H22F3NO — CID 103285826

IUPAC2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCC(C)COC(C)CNCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-5-9(2)7-16-10(3)6-15-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyLSDNTXVTHFJLKR-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.98
Rot. Bonds8

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

2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 103285826) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID103285826
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCC(C)COC(C)CNCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-5-9(2)7-16-10(3)6-15-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyLSDNTXVTHFJLKR-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598118
2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598311
2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62565222
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
N-[2-(2-methylpentoxy)propyl]butan-2-amine
CID 103285813
2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 82983950
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 112590123
2,6-dimethyl-N-(2,2,2-trifluoroethyl)heptan-1-amine
CID 114899374
2-(4-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62566700
4,4,4-trifluoro-3-(2-methylpentoxy)butan-1-amine
CID 103283158
2-methyl-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 106706230

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 103285826) is 2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCC(C)COC(C)CNCC(F)(F)F.
What is the InChIKey of 2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is LSDNTXVTHFJLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-4-5-9(2)7-16-10(3)6-15-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 103285826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).