1-cyclohexyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine

C14H26F3NO — CID 103148521

IUPAC1-cyclohexyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCCNC(CCOCC(F)(F)F)CC1CCCCC1
InChIInChI=1S/C14H26F3NO/c1-2-18-13(8-9-19-11-14(15,16)17)10-12-6-4-3-5-7-12/h12-13,18H,2-11H2,1H3
InChIKeyXXLIZBRTUZXUAT-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds8

About 1-cyclohexyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine

1-cyclohexyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine (PubChem CID 103148521) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
PubChem CID103148521
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name1-cyclohexyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCCNC(CCOCC(F)(F)F)CC1CCCCC1
InChIInChI=1S/C14H26F3NO/c1-2-18-13(8-9-19-11-14(15,16)17)10-12-6-4-3-5-7-12/h12-13,18H,2-11H2,1H3
InChIKeyXXLIZBRTUZXUAT-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
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-[2-(2-Cyclohexylethoxy)ethyl]piperidine
CID 56829863
2,6-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxan-4-amine
CID 75445090
1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine
CID 90980813
4-[4-(Methylamino)cyclohexyl]butyl 2,2,2-trifluoroacetate
CID 91330800
4-[5-(2,2,2-Trifluoroethoxy)pentyl]piperidine
CID 142825207
4-[4-(4,4,4-Trifluorobutoxy)butyl]piperidine
CID 143045350
N-[4-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 43730370
N-[2-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 43730643
N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 43747388
4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54937801
N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961822
4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961861

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The IUPAC name of 1-cyclohexyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine (CID 103148521) is 1-cyclohexyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine is CCNC(CCOCC(F)(F)F)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The InChIKey is XXLIZBRTUZXUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-2-18-13(8-9-19-11-14(15,16)17)10-12-6-4-3-5-7-12/h12-13,18H,2-11H2,1H3.
What are the key properties of 1-cyclohexyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
1-cyclohexyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine has a molecular weight of 281.36 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine is sourced from PubChem (CID 103148521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).