2,2,2-trifluoro-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine

C14H26F3NO — CID 62571743

IUPAC2,2,2-trifluoro-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine
SMILESCC1CCC(C(C)C)C(OCCNCC(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-10(2)12-5-4-11(3)8-13(12)19-7-6-18-9-14(15,16)17/h10-13,18H,4-9H2,1-3H3
InChIKeyMFGZYHMHKFLJTE-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.62
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine

2,2,2-trifluoro-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine (PubChem CID 62571743) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine
PubChem CID62571743
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name2,2,2-trifluoro-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine
SMILESCC1CCC(C(C)C)C(OCCNCC(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-10(2)12-5-4-11(3)8-13(12)19-7-6-18-9-14(15,16)17/h10-13,18H,4-9H2,1-3H3
InChIKeyMFGZYHMHKFLJTE-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.62
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-Menthoxyethylamine
CID 20120097
2-[3-(1,1-Difluoroethyl)cyclohexyl]oxyethanamine
CID 170263462
3,3,3-Trifluoro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine
CID 43752924
4,4,4-Trifluoro-3-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine
CID 43753307
N-[2-(2-ethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine
CID 55088631
N-(2,2,2-trifluoroethyl)-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
CID 55093431
N-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 55106482
4,4,4-Trifluoro-3-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-2-amine
CID 61647728
N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62108898
N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 62108899
2,2,2-trifluoro-N-[2-(4-methylcyclohexyl)oxyethyl]ethanamine
CID 62566542
2,2,2-trifluoro-N-[2-(2-methylcyclohexyl)oxyethyl]ethanamine
CID 62566905

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine (CID 62571743) is 2,2,2-trifluoro-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine is CC1CCC(C(C)C)C(OCCNCC(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine?
The InChIKey is MFGZYHMHKFLJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-10(2)12-5-4-11(3)8-13(12)19-7-6-18-9-14(15,16)17/h10-13,18H,4-9H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine?
2,2,2-trifluoro-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine has a molecular weight of 281.36 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine is sourced from PubChem (CID 62571743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).