N-[(1-ethylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C12H22F3NO — CID 114125181

IUPACN-[(1-ethylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCC1(CNCCOCC(F)(F)F)CCCC1
InChIInChI=1S/C12H22F3NO/c1-2-11(5-3-4-6-11)9-16-7-8-17-10-12(13,14)15/h16H,2-10H2,1H3
InChIKeyXEYQCFOJIQWLFW-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.13
Rot. Bonds7

About N-[(1-ethylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(1-ethylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 114125181) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID114125181
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-[(1-ethylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCC1(CNCCOCC(F)(F)F)CCCC1
InChIInChI=1S/C12H22F3NO/c1-2-11(5-3-4-6-11)9-16-7-8-17-10-12(13,14)15/h16H,2-10H2,1H3
InChIKeyXEYQCFOJIQWLFW-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.13
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

2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine
CID 65196621
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine
CID 104566535
N,N,3-trimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-amine
CID 61490311
[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopentyl]methanol
CID 115359446
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566649
N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 65194759
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
N-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114113640
[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol
CID 115359624
N-[[1-(2,2,2-trifluoroethoxymethyl)cyclobutyl]methyl]propan-2-amine
CID 106706062
N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine
CID 55106499
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine
CID 103969204

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(1-ethylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 114125181) is N-[(1-ethylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(1-ethylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(1-ethylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is CCC1(CNCCOCC(F)(F)F)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is XEYQCFOJIQWLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-11(5-3-4-6-11)9-16-7-8-17-10-12(13,14)15/h16H,2-10H2,1H3.
What are the key properties of N-[(1-ethylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(1-ethylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 253.31 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 114125181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).