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

C9H18F3NO3 — CID 176738334

IUPAC1-methoxy-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCOCCNC(COC)COCC(F)(F)F
InChIInChI=1S/C9H18F3NO3/c1-14-4-3-13-8(5-15-2)6-16-7-9(10,11)12/h8,13H,3-7H2,1-2H3
InChIKeyQKIASSRAFWIOQO-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.82
Rot. Bonds9

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

1-methoxy-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 176738334) has the molecular formula C9H18F3NO3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-methoxy-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID176738334
Molecular FormulaC9H18F3NO3
Molecular Weight245.24 g/mol
Exact Mass245.12
IUPAC Name1-methoxy-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCOCCNC(COC)COCC(F)(F)F
InChIInChI=1S/C9H18F3NO3/c1-14-4-3-13-8(5-15-2)6-16-7-9(10,11)12/h8,13H,3-7H2,1-2H3
InChIKeyQKIASSRAFWIOQO-UHFFFAOYSA-N
XLogP0.82
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methoxy-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 61492430
N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine
CID 62342201
2,2,2-trifluoro-N-(2-propoxyethyl)ethanamine
CID 62582651
N-[2-(trifluoromethoxy)ethyl]propan-2-amine
CID 65806011
2-ethoxy-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65806235
1-methoxy-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215785
2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 104760288
N-[2-(difluoromethoxy)ethyl]propan-2-amine
CID 114782798
N-(2-ethoxyethyl)-1-fluoropropan-2-amine
CID 123978923
N-(2,2-difluoroethoxymethyl)-2-propoxyethanamine
CID 131993604
N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoropropan-2-amine
CID 142616241
4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]butan-1-amine
CID 144800484

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-methoxy-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 176738334) is 1-methoxy-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-methoxy-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-methoxy-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is COCCNC(COC)COCC(F)(F)F.
What is the InChIKey of 1-methoxy-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is QKIASSRAFWIOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO3/c1-14-4-3-13-8(5-15-2)6-16-7-9(10,11)12/h8,13H,3-7H2,1-2H3.
What are the key properties of 1-methoxy-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-methoxy-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 245.24 g/mol, XLogP of 0.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 176738334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).