N-[3-methoxy-2-(3,3,3-trifluoropropoxy)propyl]-2-methylpropan-1-amine

C11H22F3NO2 — CID 103228993

IUPACN-[3-methoxy-2-(3,3,3-trifluoropropoxy)propyl]-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)OCCC(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-9(2)6-15-7-10(8-16-3)17-5-4-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyQKEYVNUZOQFVKJ-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.22
Rot. Bonds9

About N-[3-methoxy-2-(3,3,3-trifluoropropoxy)propyl]-2-methylpropan-1-amine

N-[3-methoxy-2-(3,3,3-trifluoropropoxy)propyl]-2-methylpropan-1-amine (PubChem CID 103228993) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is N-[3-methoxy-2-(3,3,3-trifluoropropoxy)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-methoxy-2-(3,3,3-trifluoropropoxy)propyl]-2-methylpropan-1-amine
PubChem CID103228993
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC NameN-[3-methoxy-2-(3,3,3-trifluoropropoxy)propyl]-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)OCCC(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-9(2)6-15-7-10(8-16-3)17-5-4-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyQKEYVNUZOQFVKJ-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

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Related Compounds

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
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-(3-aminopropoxy)ethoxy]ethyl]-3,3-difluorobutan-2-amine
CID 169881800
N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoro-3-methylbutan-2-amine
CID 169934486
(2R,6S)-2-(difluoromethoxymethyl)-6-methylmorpholine
CID 172274941
ethane;2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine
CID 176665498
(2R,6S)-2-(difluoromethyl)-6-(propan-2-yloxymethyl)morpholine
CID 176863299
(2S)-2-[(1R)-2,2,2-trifluoro-1-propan-2-yloxyethyl]morpholine
CID 176863451

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-(3,3,3-trifluoropropoxy)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-methoxy-2-(3,3,3-trifluoropropoxy)propyl]-2-methylpropan-1-amine (CID 103228993) is N-[3-methoxy-2-(3,3,3-trifluoropropoxy)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-methoxy-2-(3,3,3-trifluoropropoxy)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-methoxy-2-(3,3,3-trifluoropropoxy)propyl]-2-methylpropan-1-amine is COCC(CNCC(C)C)OCCC(F)(F)F.
What is the InChIKey of N-[3-methoxy-2-(3,3,3-trifluoropropoxy)propyl]-2-methylpropan-1-amine?
The InChIKey is QKEYVNUZOQFVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2/c1-9(2)6-15-7-10(8-16-3)17-5-4-11(12,13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of N-[3-methoxy-2-(3,3,3-trifluoropropoxy)propyl]-2-methylpropan-1-amine?
N-[3-methoxy-2-(3,3,3-trifluoropropoxy)propyl]-2-methylpropan-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 N-[3-methoxy-2-(3,3,3-trifluoropropoxy)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103228993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).