3,3,3-trifluoro-2-[(3-methoxy-3-methylbutoxy)methyl]propan-1-amine

C10H20F3NO2 — CID 106665133

IUPAC3,3,3-trifluoro-2-[(3-methoxy-3-methylbutoxy)methyl]propan-1-amine
SMILESCOC(C)(C)CCOCC(CN)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-9(2,15-3)4-5-16-7-8(6-14)10(11,12)13/h8H,4-7,14H2,1-3H3
InChIKeyAIUHZZHXGNXMMQ-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.96
Rot. Bonds7

About 3,3,3-trifluoro-2-[(3-methoxy-3-methylbutoxy)methyl]propan-1-amine

3,3,3-trifluoro-2-[(3-methoxy-3-methylbutoxy)methyl]propan-1-amine (PubChem CID 106665133) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(3-methoxy-3-methylbutoxy)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(3-methoxy-3-methylbutoxy)methyl]propan-1-amine
PubChem CID106665133
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name3,3,3-trifluoro-2-[(3-methoxy-3-methylbutoxy)methyl]propan-1-amine
SMILESCOC(C)(C)CCOCC(CN)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-9(2,15-3)4-5-16-7-8(6-14)10(11,12)13/h8H,4-7,14H2,1-3H3
InChIKeyAIUHZZHXGNXMMQ-UHFFFAOYSA-N
XLogP1.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(3-methoxy-3-methylbutoxy)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(3-methoxy-3-methylbutoxy)methyl]propan-1-amine (CID 106665133) is 3,3,3-trifluoro-2-[(3-methoxy-3-methylbutoxy)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(3-methoxy-3-methylbutoxy)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(3-methoxy-3-methylbutoxy)methyl]propan-1-amine is COC(C)(C)CCOCC(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(3-methoxy-3-methylbutoxy)methyl]propan-1-amine?
The InChIKey is AIUHZZHXGNXMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-9(2,15-3)4-5-16-7-8(6-14)10(11,12)13/h8H,4-7,14H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-2-[(3-methoxy-3-methylbutoxy)methyl]propan-1-amine?
3,3,3-trifluoro-2-[(3-methoxy-3-methylbutoxy)methyl]propan-1-amine has a molecular weight of 243.27 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(3-methoxy-3-methylbutoxy)methyl]propan-1-amine is sourced from PubChem (CID 106665133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).