N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C13H24F3NO — CID 54961803

IUPACN-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCC1CCC(CNCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-2-11-3-5-12(6-4-11)9-17-7-8-18-10-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyWLTIXHKYGDGDTP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds7

About N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 54961803) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID54961803
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCC1CCC(CNCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-2-11-3-5-12(6-4-11)9-17-7-8-18-10-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyWLTIXHKYGDGDTP-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 54961803) is N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is CCC1CCC(CNCCOCC(F)(F)F)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is WLTIXHKYGDGDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-2-11-3-5-12(6-4-11)9-17-7-8-18-10-13(14,15)16/h11-12,17H,2-10H2,1H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 267.33 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 54961803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).