1-cyclopentyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

C12H22F3NO — CID 104749584

IUPAC1-cyclopentyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCCNC(COC(C)C(F)(F)F)C1CCCC1
InChIInChI=1S/C12H22F3NO/c1-3-16-11(10-6-4-5-7-10)8-17-9(2)12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyRJTYNOQVTVHWCU-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds6

About 1-cyclopentyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

1-cyclopentyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (PubChem CID 104749584) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
PubChem CID104749584
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-cyclopentyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCCNC(COC(C)C(F)(F)F)C1CCCC1
InChIInChI=1S/C12H22F3NO/c1-3-16-11(10-6-4-5-7-10)8-17-9(2)12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyRJTYNOQVTVHWCU-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclopentyl-6-(trifluoromethyl)morpholine
CID 73994595
(2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine
CID 20648533
5-fluoro-N,2,4,6-tetramethyloxan-3-amine
CID 59938453
2-(Cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine
CID 70229370
(2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine
CID 70229372
trans-(1R,6S)-2,2-difluoro-6-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]oxymethyl]cyclohexan-1-amine
CID 156429707
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 54962221
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 55036775
N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083200
1-cyclopentyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55094981
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine
CID 55106985

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The IUPAC name of 1-cyclopentyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (CID 104749584) is 1-cyclopentyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is CCNC(COC(C)C(F)(F)F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The InChIKey is RJTYNOQVTVHWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-3-16-11(10-6-4-5-7-10)8-17-9(2)12(13,14)15/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
1-cyclopentyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is sourced from PubChem (CID 104749584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).