3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propan-1-amine

C10H20F3NO2 — CID 106447048

IUPAC3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propan-1-amine
SMILESCC(C)COCCOCC(CN)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-8(2)6-15-3-4-16-7-9(5-14)10(11,12)13/h8-9H,3-7,14H2,1-2H3
InChIKeyHLNIHUABESPGPE-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.81
Rot. Bonds8

About 3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propan-1-amine

3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propan-1-amine (PubChem CID 106447048) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propan-1-amine
PubChem CID106447048
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propan-1-amine
SMILESCC(C)COCCOCC(CN)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-8(2)6-15-3-4-16-7-9(5-14)10(11,12)13/h8-9H,3-7,14H2,1-2H3
InChIKeyHLNIHUABESPGPE-UHFFFAOYSA-N
XLogP1.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.81
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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Related Compounds

ethane;1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropane
CID 171646714
2-[(2S)-2-(aminomethyl)-3,3,3-trifluoropropoxy]acetic acid
CID 95396548
(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447202
3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propanoic acid
CID 106450369
2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropan-1-amine
CID 103366795
2-(trifluoromethyl)butan-1-amine
CID 10351789
2-(2-methylpropoxy)ethyl (2S)-3-amino-2-hydroxypropanoate
CID 107837701
2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane
CID 162031327
N'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine
CID 103366264
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
CID 167646530

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propan-1-amine (CID 106447048) is 3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propan-1-amine is CC(C)COCCOCC(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propan-1-amine?
The InChIKey is HLNIHUABESPGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-8(2)6-15-3-4-16-7-9(5-14)10(11,12)13/h8-9H,3-7,14H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propan-1-amine?
3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propan-1-amine has a molecular weight of 243.27 g/mol, XLogP of 1.81, 8 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-[2-(2-methylpropoxy)ethoxymethyl]propan-1-amine is sourced from PubChem (CID 106447048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).