N-[[2-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine

C16H22F3N — CID 81027466

IUPACN-[[2-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N/c1-2-20-11-13-6-3-4-9-15(13)12-7-5-8-14(10-12)16(17,18)19/h5,7-8,10,13,15,20H,2-4,6,9,11H2,1H3
InChIKeyWSWFXLYIEMVBCS-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.59
Rot. Bonds4

About N-[[2-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine

N-[[2-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine (PubChem CID 81027466) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[[2-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine
PubChem CID81027466
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-[[2-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N/c1-2-20-11-13-6-3-4-9-15(13)12-7-5-8-14(10-12)16(17,18)19/h5,7-8,10,13,15,20H,2-4,6,9,11H2,1H3
InChIKeyWSWFXLYIEMVBCS-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine (CID 81027466) is N-[[2-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine is CCNCC1CCCCC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[2-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine?
The InChIKey is WSWFXLYIEMVBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-2-20-11-13-6-3-4-9-15(13)12-7-5-8-14(10-12)16(17,18)19/h5,7-8,10,13,15,20H,2-4,6,9,11H2,1H3.
What are the key properties of N-[[2-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine?
N-[[2-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine has a molecular weight of 285.35 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81027466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).