2-(3-methylbutoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H20F3NO — CID 62565785

IUPAC2-(3-methylbutoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)CCOC(C)CNCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-8(2)4-5-15-9(3)6-14-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyVGWZSIZDCUJTQT-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.59
Rot. Bonds7

About 2-(3-methylbutoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(3-methylbutoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62565785) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-methylbutoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62565785
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name2-(3-methylbutoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)CCOC(C)CNCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-8(2)4-5-15-9(3)6-14-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyVGWZSIZDCUJTQT-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylbutoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(3-methylbutoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62565785) is 2-(3-methylbutoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(3-methylbutoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(3-methylbutoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(C)CCOC(C)CNCC(F)(F)F.
What is the InChIKey of 2-(3-methylbutoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is VGWZSIZDCUJTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-8(2)4-5-15-9(3)6-14-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 2-(3-methylbutoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(3-methylbutoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 227.27 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62565785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).