1-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

C7H14F3NO2 — CID 103215785

IUPAC1-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCNC(COC)COCC(F)(F)F
InChIInChI=1S/C7H14F3NO2/c1-11-6(3-12-2)4-13-5-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyPFBNFRNRMGHOPT-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.80
Rot. Bonds6

About 1-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

1-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215785) has the molecular formula C7H14F3NO2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 1-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215785
Molecular FormulaC7H14F3NO2
Molecular Weight201.19 g/mol
Exact Mass201.10
IUPAC Name1-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCNC(COC)COCC(F)(F)F
InChIInChI=1S/C7H14F3NO2/c1-11-6(3-12-2)4-13-5-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyPFBNFRNRMGHOPT-UHFFFAOYSA-N
XLogP0.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl(1,1,1-trifluoro-3-methoxypropan-2-yl)amine hydrochloride
CID 75480536
N-(2-ethoxyethyl)-2,2,2-trifluoroethanamine
CID 43387971
2-(2,2-difluoroethoxy)-N-methylethanamine
CID 58684435
N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 58685072
1-fluoro-3-methoxy-N-methylpropan-2-amine
CID 58702764
N-(2-ethoxyethyl)-2,2-difluoroethanamine
CID 60921493
N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 61492430
N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61492431
N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine
CID 62342201
2-methoxy-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65802989
N-[2-(trifluoromethoxy)ethyl]propan-2-amine
CID 65806011
2-ethoxy-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65806235

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215785) is 1-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is CNC(COC)COCC(F)(F)F.
What is the InChIKey of 1-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is PFBNFRNRMGHOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2/c1-11-6(3-12-2)4-13-5-7(8,9)10/h6,11H,3-5H2,1-2H3.
What are the key properties of 1-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 201.19 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).