2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine

C13H25F3N2O — CID 62990666

IUPAC2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
SMILESCC(CNCCCOCC(F)(F)F)CN1CCCC1
InChIInChI=1S/C13H25F3N2O/c1-12(10-18-6-2-3-7-18)9-17-5-4-8-19-11-13(14,15)16/h12,17H,2-11H2,1H3
InChIKeyUUFQQADICYUROJ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.28
Rot. Bonds9

About 2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine

2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine (PubChem CID 62990666) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
PubChem CID62990666
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
SMILESCC(CNCCCOCC(F)(F)F)CN1CCCC1
InChIInChI=1S/C13H25F3N2O/c1-12(10-18-6-2-3-7-18)9-17-5-4-8-19-11-13(14,15)16/h12,17H,2-11H2,1H3
InChIKeyUUFQQADICYUROJ-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.28
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

2-methyl-3-methylsulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 63966064
N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957473
2-methyl-3-[4-[3-(2,2,2-trifluoroethoxy)propyl]-1,4-diazepan-1-yl]propan-1-amine
CID 61491188
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911598
N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine
CID 55191409
N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 103208163
2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine
CID 57222400
N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62725863
2-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 62642519
2-chloro-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 65024338
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54962176
N-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114113640

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine?
The IUPAC name of 2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine (CID 62990666) is 2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine?
The canonical SMILES for 2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine is CC(CNCCCOCC(F)(F)F)CN1CCCC1.
What is the InChIKey of 2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine?
The InChIKey is UUFQQADICYUROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-12(10-18-6-2-3-7-18)9-17-5-4-8-19-11-13(14,15)16/h12,17H,2-11H2,1H3.
What are the key properties of 2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine?
2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine is sourced from PubChem (CID 62990666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).