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

C10H20F3NO — CID 103605804

IUPAC3,3,3-trifluoro-N-[3-(2-methylpropoxy)propyl]propan-1-amine
SMILESCC(C)COCCCNCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-9(2)8-15-7-3-5-14-6-4-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyFLPVKJRALGCAPT-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.59
Rot. Bonds8

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

3,3,3-trifluoro-N-[3-(2-methylpropoxy)propyl]propan-1-amine (PubChem CID 103605804) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[3-(2-methylpropoxy)propyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[3-(2-methylpropoxy)propyl]propan-1-amine
PubChem CID103605804
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name3,3,3-trifluoro-N-[3-(2-methylpropoxy)propyl]propan-1-amine
SMILESCC(C)COCCCNCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-9(2)8-15-7-3-5-14-6-4-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyFLPVKJRALGCAPT-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide
CID 71905535
N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine
CID 106452398
3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 114097748
4,4,4-trifluoro-N-(2-methylpropoxy)butan-1-amine
CID 82714513
N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine
CID 115513495
4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine
CID 115513651
N-ethyl-4-(2-methylpropoxy)butan-1-amine
CID 62445495
N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 106045562
1-(4-methylpentoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 115518703
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
5-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106130922
3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine
CID 82958428

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[3-(2-methylpropoxy)propyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[3-(2-methylpropoxy)propyl]propan-1-amine (CID 103605804) is 3,3,3-trifluoro-N-[3-(2-methylpropoxy)propyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[3-(2-methylpropoxy)propyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[3-(2-methylpropoxy)propyl]propan-1-amine is CC(C)COCCCNCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[3-(2-methylpropoxy)propyl]propan-1-amine?
The InChIKey is FLPVKJRALGCAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-9(2)8-15-7-3-5-14-6-4-10(11,12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-[3-(2-methylpropoxy)propyl]propan-1-amine?
3,3,3-trifluoro-N-[3-(2-methylpropoxy)propyl]propan-1-amine has a molecular weight of 227.27 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[3-(2-methylpropoxy)propyl]propan-1-amine is sourced from PubChem (CID 103605804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).