1-N-ethyl-3-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C9H19F3N2O — CID 103225819

IUPAC1-N-ethyl-3-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCNCC(COC)N(C)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-4-13-5-8(6-15-3)14(2)7-9(10,11)12/h8,13H,4-7H2,1-3H3
InChIKeyCGFNEVJQQKZDDC-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.11
Rot. Bonds7

About 1-N-ethyl-3-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

1-N-ethyl-3-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 103225819) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-N-ethyl-3-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-3-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID103225819
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name1-N-ethyl-3-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCNCC(COC)N(C)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-4-13-5-8(6-15-3)14(2)7-9(10,11)12/h8,13H,4-7H2,1-3H3
InChIKeyCGFNEVJQQKZDDC-UHFFFAOYSA-N
XLogP1.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-3-methoxy-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 103225357
1-N-ethyl-3-methoxy-2-N-methyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 103225707
2-N-[(4-bromophenyl)methyl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225090
2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225027
2-N-cyclobutyl-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103227279
3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226294
(3S)-N,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexan-3-amine
CID 166869742
1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 103225901
2-N-(4,4-dimethylcyclohexyl)-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226991
1-N-ethyl-2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226137
3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine
CID 103225627
3-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide
CID 103229534

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 1-N-ethyl-3-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 103225819) is 1-N-ethyl-3-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-3-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-3-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CCNCC(COC)N(C)CC(F)(F)F.
What is the InChIKey of 1-N-ethyl-3-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is CGFNEVJQQKZDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-4-13-5-8(6-15-3)14(2)7-9(10,11)12/h8,13H,4-7H2,1-3H3.
What are the key properties of 1-N-ethyl-3-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
1-N-ethyl-3-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 228.26 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 103225819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).