3-methyl-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine

C11H22F3NO — CID 62445973

IUPAC3-methyl-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCC(C)CNCC(OCC(F)(F)F)C(C)C
InChIInChI=1S/C11H22F3NO/c1-8(2)5-15-6-10(9(3)4)16-7-11(12,13)14/h8-10,15H,5-7H2,1-4H3
InChIKeyOBZXTWMFLRMBAW-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.84
Rot. Bonds7

About 3-methyl-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine

3-methyl-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 62445973) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID62445973
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name3-methyl-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCC(C)CNCC(OCC(F)(F)F)C(C)C
InChIInChI=1S/C11H22F3NO/c1-8(2)5-15-6-10(9(3)4)16-7-11(12,13)14/h8-10,15H,5-7H2,1-4H3
InChIKeyOBZXTWMFLRMBAW-UHFFFAOYSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine (CID 62445973) is 3-methyl-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine is CC(C)CNCC(OCC(F)(F)F)C(C)C.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is OBZXTWMFLRMBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-8(2)5-15-6-10(9(3)4)16-7-11(12,13)14/h8-10,15H,5-7H2,1-4H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine?
3-methyl-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 62445973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).