2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

C16H20F3N — CID 17210199

IUPAC2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESFC(F)(F)c1ccccc1CNCCC1=CCCCC1
InChIInChI=1S/C16H20F3N/c17-16(18,19)15-9-5-4-8-14(15)12-20-11-10-13-6-2-1-3-7-13/h4-6,8-9,20H,1-3,7,10-12H2
InChIKeyIDQCYULKRHOMMH-UHFFFAOYSA-N
MW283.34 g/mol
LogP4.69
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 17210199) has the molecular formula C16H20F3N and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID17210199
Molecular FormulaC16H20F3N
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESFC(F)(F)c1ccccc1CNCCC1=CCCCC1
InChIInChI=1S/C16H20F3N/c17-16(18,19)15-9-5-4-8-14(15)12-20-11-10-13-6-2-1-3-7-13/h4-6,8-9,20H,1-3,7,10-12H2
InChIKeyIDQCYULKRHOMMH-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 17206520
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzonitrile
CID 60691473
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide
CID 55061824
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 43096041
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77029871
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzene-1,3-diol
CID 28620790
2-(cyclohexen-1-yl)-N-(1H-indol-3-ylmethyl)ethanamine
CID 60664517
2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60697098
N-[(2-bromo-3-fluorophenyl)methyl]-2-(cyclopenten-1-yl)ethanamine
CID 114153936
2-(cyclopenten-1-yl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 113334945

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (CID 17210199) is 2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is FC(F)(F)c1ccccc1CNCCC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is IDQCYULKRHOMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N/c17-16(18,19)15-9-5-4-8-14(15)12-20-11-10-13-6-2-1-3-7-13/h4-6,8-9,20H,1-3,7,10-12H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 283.34 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 17210199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).