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

N-(2-chloroethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine
CID 63387590
N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclopentanamine
CID 118713781
N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)cyclohexanamine
CID 118713779
N-(azetidin-3-ylmethyl)-N-[(4-methylphenyl)methyl]cyclopropanamine
CID 159405748
N-(azetidin-3-ylmethyl)-N-[(3-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 142725296
N-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine
CID 87521307
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43607736
3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine
CID 71133733
N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 69062995
N-[[4-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624895
1-cyclopentyl-3-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 13201307
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477

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).