N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine

C14H26F3NO — CID 55106643

IUPACN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C14H26F3NO/c1-2-9-18-11-13(6-4-3-5-7-13)8-10-19-12-14(15,16)17/h18H,2-12H2,1H3
InChIKeyNZHHOZOFWSAUJP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.91
Rot. Bonds8

About N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine

N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 55106643) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine
PubChem CID55106643
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C14H26F3NO/c1-2-9-18-11-13(6-4-3-5-7-13)8-10-19-12-14(15,16)17/h18H,2-12H2,1H3
InChIKeyNZHHOZOFWSAUJP-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.91
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

5-(2,2,2-Trifluoroethoxy)-3-azaspiro[5.5]undecane
CID 89704683
11-(2,2,2-Trifluoroethoxy)-3-azaspiro[5.5]undecane
CID 89704684
4-[5-(2,2,2-Trifluoroethoxy)pentyl]piperidine
CID 142825207
4-[1-(10,10-Diethyldodecoxy)-2,2,2-trifluoroethyl]-4-fluoropiperidine
CID 177725129
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962222
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962223
N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55093564
N-methyl-1-(3-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094199
1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095357
2-methyl-N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106502
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine
CID 55106594
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine
CID 55106739

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine (CID 55106643) is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine is CCCNCC1(CCOCC(F)(F)F)CCCCC1.
What is the InChIKey of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is NZHHOZOFWSAUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-2-9-18-11-13(6-4-3-5-7-13)8-10-19-12-14(15,16)17/h18H,2-12H2,1H3.
What are the key properties of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine?
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 55106643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).