N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine

C17H24F3N — CID 63448133

IUPACN-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine
SMILESFC(F)(F)CC(NCCC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H24F3N/c18-17(19,20)13-16(15-9-5-2-6-10-15)21-12-11-14-7-3-1-4-8-14/h2,5-6,9-10,14,16,21H,1,3-4,7-8,11-13H2
InChIKeyQWPMBPRXFIADFS-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.24
Rot. Bonds6

About N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine

N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine (PubChem CID 63448133) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine
PubChem CID63448133
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC NameN-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine
SMILESFC(F)(F)CC(NCCC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H24F3N/c18-17(19,20)13-16(15-9-5-2-6-10-15)21-12-11-14-7-3-1-4-8-14/h2,5-6,9-10,14,16,21H,1,3-4,7-8,11-13H2
InChIKeyQWPMBPRXFIADFS-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.38
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine
CID 43760194
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CID 63450485
3,3,3-trifluoro-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 61020486
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
N-(2-cyclobutylethyl)-1-phenylethanamine
CID 115688569
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
N-(3-cyclopentylpropyl)-1-phenylbutan-1-amine
CID 106008352
N-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine
CID 115708422
N-(2-cyclodecylethyl)cyclodecapentaenamine
CID 155323771
N-(2-cyclotridecylethyl)cyclodecapentaenamine
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CID 155097457

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine?
The IUPAC name of N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine (CID 63448133) is N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine is FC(F)(F)CC(NCCC1CCCCC1)c1ccccc1.
What is the InChIKey of N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine?
The InChIKey is QWPMBPRXFIADFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c18-17(19,20)13-16(15-9-5-2-6-10-15)21-12-11-14-7-3-1-4-8-14/h2,5-6,9-10,14,16,21H,1,3-4,7-8,11-13H2.
What are the key properties of N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine?
N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine has a molecular weight of 299.38 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine is sourced from PubChem (CID 63448133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).