(1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine

C16H22F3NO — CID 81389755

IUPAC(1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine
SMILESCC(N[C@H](C)C1CCCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H22F3NO/c1-11(13-5-3-4-6-13)20-12(2)14-7-9-15(10-8-14)21-16(17,18)19/h7-13,20H,3-6H2,1-2H3/t11-,12?/m1/s1
InChIKeyZEACQNXYIUPYHW-JHJMLUEUSA-N
MW301.35 g/mol
LogP4.81
Rot. Bonds5

About (1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine

(1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine (PubChem CID 81389755) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is (1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine
PubChem CID81389755
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name(1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine
SMILESCC(N[C@H](C)C1CCCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H22F3NO/c1-11(13-5-3-4-6-13)20-12(2)14-7-9-15(10-8-14)21-16(17,18)19/h7-13,20H,3-6H2,1-2H3/t11-,12?/m1/s1
InChIKeyZEACQNXYIUPYHW-JHJMLUEUSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(trifluoromethoxy)phenyl]ethyl]cyclopentanamine
CID 43190434
1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 63445435
1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 115714644
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine
CID 81348448
(1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine
CID 81386295
1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 55097109
(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 81389876
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
4-[1-(1-cyclohexylethylamino)ethyl]phenol
CID 62405535
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]butan-2-amine
CID 43190319
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]azetidin-3-amine
CID 68593383
N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 114981675

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine?
The IUPAC name of (1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine (CID 81389755) is (1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine?
The canonical SMILES for (1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine is CC(N[C@H](C)C1CCCC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine?
The InChIKey is ZEACQNXYIUPYHW-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-11(13-5-3-4-6-13)20-12(2)14-7-9-15(10-8-14)21-16(17,18)19/h7-13,20H,3-6H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine?
(1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine has a molecular weight of 301.35 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine is sourced from PubChem (CID 81389755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).