N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine

C17H22F3N — CID 62723191

IUPACN-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1cccc(CC2(CNC3CC3)CCCC2)c1
InChIInChI=1S/C17H22F3N/c18-17(19,20)14-5-3-4-13(10-14)11-16(8-1-2-9-16)12-21-15-6-7-15/h3-5,10,15,21H,1-2,6-9,11-12H2
InChIKeyFMEWTOYCRIQWST-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.56
Rot. Bonds5

About N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine

N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine (PubChem CID 62723191) has the molecular formula C17H22F3N and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
PubChem CID62723191
Molecular FormulaC17H22F3N
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC NameN-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1cccc(CC2(CNC3CC3)CCCC2)c1
InChIInChI=1S/C17H22F3N/c18-17(19,20)14-5-3-4-13(10-14)11-16(8-1-2-9-16)12-21-15-6-7-15/h3-5,10,15,21H,1-2,6-9,11-12H2
InChIKeyFMEWTOYCRIQWST-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene
CID 66034453
N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
CID 166520360
N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 82930846
N-ethyl-3-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 116539278
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 65149544
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
CID 62621040
[3-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine
CID 65407301
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptane-1-carbonitrile
CID 65389527
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058938
N-[[2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-yl]methyl]ethanamine
CID 114534318
N-[2-[[3-(trifluoromethyl)phenyl]methyl]pentyl]cyclopropanamine
CID 62528327
1-N,2-N-bis[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040821

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine (CID 62723191) is N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine is FC(F)(F)c1cccc(CC2(CNC3CC3)CCCC2)c1.
What is the InChIKey of N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine?
The InChIKey is FMEWTOYCRIQWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N/c18-17(19,20)14-5-3-4-13(10-14)11-16(8-1-2-9-16)12-21-15-6-7-15/h3-5,10,15,21H,1-2,6-9,11-12H2.
What are the key properties of N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine?
N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine has a molecular weight of 297.36 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 62723191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).