N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C14H20F3NOS — CID 63829062

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNC(c1cccs1)C1CCCC1
InChIInChI=1S/C14H20F3NOS/c15-14(16,17)10-19-8-7-18-13(11-4-1-2-5-11)12-6-3-9-20-12/h3,6,9,11,13,18H,1-2,4-5,7-8,10H2
InChIKeyIUEGUZCCTJBXPL-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.15
Rot. Bonds7

About N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 63829062) has the molecular formula C14H20F3NOS and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID63829062
Molecular FormulaC14H20F3NOS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNC(c1cccs1)C1CCCC1
InChIInChI=1S/C14H20F3NOS/c15-14(16,17)10-19-8-7-18-13(11-4-1-2-5-11)12-6-3-9-20-12/h3,6,9,11,13,18H,1-2,4-5,7-8,10H2
InChIKeyIUEGUZCCTJBXPL-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.15
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-[(3-Methyl-1-thiophen-2-ylbutyl)amino]propane-1,3-diol
CID 75428432
N-(1-methoxypropan-2-yl)-2-thiophen-2-ylpropan-1-amine
CID 75495456
2-methyl-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 43426279
N-[cyclopentyl(thiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 43755120
N-(2-methyl-1-thiophen-2-ylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43788011
N-(2-methyl-1-thiophen-2-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43788057
N-(2-methyl-1-thiophen-2-ylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43791396
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54961664
N-(1-thiophen-2-ylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54961865
4H-Cyclopenta[b]thiophene-2-methanamine, 5,6-dihydro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-
CID 54961957
1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 54962738
1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 54964719

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 63829062) is N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNC(c1cccs1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is IUEGUZCCTJBXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NOS/c15-14(16,17)10-19-8-7-18-13(11-4-1-2-5-11)12-6-3-9-20-12/h3,6,9,11,13,18H,1-2,4-5,7-8,10H2.
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 307.38 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 63829062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).