2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine

C16H22F3NO — CID 43434136

IUPAC2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
SMILESCCC1CCCCC1NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H22F3NO/c1-2-13-5-3-4-6-15(13)20-11-12-7-9-14(10-8-12)21-16(17,18)19/h7-10,13,15,20H,2-6,11H2,1H3
InChIKeyAIBYOQMGCRBKLW-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.64
Rot. Bonds5

About 2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine

2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine (PubChem CID 43434136) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
PubChem CID43434136
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
SMILESCCC1CCCCC1NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H22F3NO/c1-2-13-5-3-4-6-15(13)20-11-12-7-9-14(10-8-12)21-16(17,18)19/h7-10,13,15,20H,2-6,11H2,1H3
InChIKeyAIBYOQMGCRBKLW-UHFFFAOYSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of 2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine (CID 43434136) is 2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine is CCC1CCCCC1NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
The InChIKey is AIBYOQMGCRBKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-2-13-5-3-4-6-15(13)20-11-12-7-9-14(10-8-12)21-16(17,18)19/h7-10,13,15,20H,2-6,11H2,1H3.
What are the key properties of 2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine has a molecular weight of 301.35 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 43434136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).