N-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine

C17H23F3N2O — CID 142725287

IUPACN-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine
SMILESFC(F)(F)Oc1ccc(CN(CC2CNC2)C2CCCC2)cc1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)23-16-7-5-13(6-8-16)11-22(12-14-9-21-10-14)15-3-1-2-4-15/h5-8,14-15,21H,1-4,9-12H2
InChIKeyGXDFLKDUDJWMSX-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.55
Rot. Bonds6

About N-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine

N-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine (PubChem CID 142725287) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine
PubChem CID142725287
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine
SMILESFC(F)(F)Oc1ccc(CN(CC2CNC2)C2CCCC2)cc1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)23-16-7-5-13(6-8-16)11-22(12-14-9-21-10-14)15-3-1-2-4-15/h5-8,14-15,21H,1-4,9-12H2
InChIKeyGXDFLKDUDJWMSX-UHFFFAOYSA-N
XLogP3.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(4-methoxybenzyl)piperidin-4-amine
CID 784035
N-(4-methoxybenzyl)cyclohexanamine
CID 274796
(2-(Dimethylamino)ethyl)((4-methoxyphenyl)methyl)amine
CID 3154217
Propane-1,3-diamine, N,N'-bis(4-methoxybenzyl)-
CID 415199
Benzenemethanamine, 4-methoxy-N-propyl-
CID 485408
Methyl({[4-(trifluoromethoxy)phenyl]methyl})amine
CID 16776268
(2-Cyclopentylidene-2-fluoroethyl)[(4-methoxyphenyl)methyl]amine
CID 23646082
(2-Cyclohexylidene-2-fluoroethyl)[(4-methoxyphenyl)methyl]amine
CID 23646092
1-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 44716348
2-{4-[({1-[4-(Trifluoromethoxy)phenyl]ethyl}amino)methyl]piperidin-1-yl}ethan-1-ol
CID 53572840
AChE/BChE/BACE-1-IN-1
CID 55464305
1-[2-(methylamino)ethyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]azetidin-3-amine
CID 137642809

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine?
The IUPAC name of N-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine (CID 142725287) is N-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine is FC(F)(F)Oc1ccc(CN(CC2CNC2)C2CCCC2)cc1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine?
The InChIKey is GXDFLKDUDJWMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c18-17(19,20)23-16-7-5-13(6-8-16)11-22(12-14-9-21-10-14)15-3-1-2-4-15/h5-8,14-15,21H,1-4,9-12H2.
What are the key properties of N-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine?
N-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine has a molecular weight of 328.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine is sourced from PubChem (CID 142725287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).