2-ethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine

C12H24F3NO — CID 55083017

IUPAC2-ethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCC(CCOCC(F)(F)F)CNCC(C)C
InChIInChI=1S/C12H24F3NO/c1-4-11(8-16-7-10(2)3)5-6-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeySBRMMJIFFUHTHC-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.23
Rot. Bonds9

About 2-ethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine

2-ethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 55083017) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-ethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID55083017
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name2-ethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCC(CCOCC(F)(F)F)CNCC(C)C
InChIInChI=1S/C12H24F3NO/c1-4-11(8-16-7-10(2)3)5-6-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeySBRMMJIFFUHTHC-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 24711278
CID 24711278
CID 61269934
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CID 64567962
CID 64567962
CID 66204343
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CID 89688416
CID 89688416
CID 90165369
CID 90165369
CID 106705883
CID 106705883
CID 132011838
CID 132011838
CID 134166296
CID 134166296
CID 145366148
CID 145366148
CID 146329042
CID 146329042
CID 146615373
CID 146615373

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 55083017) is 2-ethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine is CCC(CCOCC(F)(F)F)CNCC(C)C.
What is the InChIKey of 2-ethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is SBRMMJIFFUHTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-4-11(8-16-7-10(2)3)5-6-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
2-ethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 255.32 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 55083017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).