6,6,6-trifluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)hexan-2-amine

C14H27F3N2O — CID 106605959

IUPAC6,6,6-trifluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)hexan-2-amine
SMILESCOCCN(CC1CCCN1)C(C)CCCC(F)(F)F
InChIInChI=1S/C14H27F3N2O/c1-12(5-3-7-14(15,16)17)19(9-10-20-2)11-13-6-4-8-18-13/h12-13,18H,3-11H2,1-2H3
InChIKeyKEFAJPFMKKCXFM-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.81
Rot. Bonds9

About 6,6,6-trifluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)hexan-2-amine

6,6,6-trifluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)hexan-2-amine (PubChem CID 106605959) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)hexan-2-amine
PubChem CID106605959
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name6,6,6-trifluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)hexan-2-amine
SMILESCOCCN(CC1CCCN1)C(C)CCCC(F)(F)F
InChIInChI=1S/C14H27F3N2O/c1-12(5-3-7-14(15,16)17)19(9-10-20-2)11-13-6-4-8-18-13/h12-13,18H,3-11H2,1-2H3
InChIKeyKEFAJPFMKKCXFM-UHFFFAOYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,6,6-trifluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)hexan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106617509
2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106607007
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-3-en-2-amine
CID 106617658
N-[2-(2-methoxyethoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614604
4,4,4-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106613835
4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106602392
N-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 64570567
ethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate
CID 106617720
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-2-amine
CID 106603679
N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine
CID 106623511
1-methoxy-N-(2-methoxyethyl)-N-(3-pyrrolidin-2-ylpropyl)propan-2-amine
CID 62480833
N-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 102819434

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)hexan-2-amine (CID 106605959) is 6,6,6-trifluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)hexan-2-amine is COCCN(CC1CCCN1)C(C)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)hexan-2-amine?
The InChIKey is KEFAJPFMKKCXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-12(5-3-7-14(15,16)17)19(9-10-20-2)11-13-6-4-8-18-13/h12-13,18H,3-11H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)hexan-2-amine?
6,6,6-trifluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)hexan-2-amine has a molecular weight of 296.38 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)hexan-2-amine is sourced from PubChem (CID 106605959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).