N-[[(2R)-pyrrolidin-2-yl]methyl]-1-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine

C16H21F3N2O — CID 163218522

IUPACN-[[(2R)-pyrrolidin-2-yl]methyl]-1-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine
SMILESFC(F)(F)Oc1cccc(C2(NC[C@H]3CCCN3)CCC2)c1
InChIInChI=1S/C16H21F3N2O/c17-16(18,19)22-14-6-1-4-12(10-14)15(7-3-8-15)21-11-13-5-2-9-20-13/h1,4,6,10,13,20-21H,2-3,5,7-9,11H2/t13-/m1/s1
InChIKeyVKQBKZASMXAAHD-CYBMUJFWSA-N
MW314.35 g/mol
LogP3.31
Rot. Bonds5

About N-[[(2R)-pyrrolidin-2-yl]methyl]-1-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine

N-[[(2R)-pyrrolidin-2-yl]methyl]-1-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine (PubChem CID 163218522) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[[(2R)-pyrrolidin-2-yl]methyl]-1-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN-[[(2R)-pyrrolidin-2-yl]methyl]-1-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine
PubChem CID163218522
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC NameN-[[(2R)-pyrrolidin-2-yl]methyl]-1-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine
SMILESFC(F)(F)Oc1cccc(C2(NC[C@H]3CCCN3)CCC2)c1
InChIInChI=1S/C16H21F3N2O/c17-16(18,19)22-14-6-1-4-12(10-14)15(7-3-8-15)21-11-13-5-2-9-20-13/h1,4,6,10,13,20-21H,2-3,5,7-9,11H2/t13-/m1/s1
InChIKeyVKQBKZASMXAAHD-CYBMUJFWSA-N
XLogP3.31
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-(pyrrolidin-2-ylmethyl)cyclobutan-1-amine
CID 163218554
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 120723484
2-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)piperidine
CID 106778899
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine
CID 104703817
N-[1-(3-methylphenyl)cyclopentyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119770626
3-ethyl-1-[3-(trifluoromethoxy)phenyl]-1,4-diazepane
CID 64943718
N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119513413
(2R)-2-[[2-(trifluoromethoxy)phenoxy]methyl]pyrrolidine
CID 102820256
4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 63407060
2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine
CID 90909757
(2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 171196183
2-pyrrolidin-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 119696765

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-pyrrolidin-2-yl]methyl]-1-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine?
The IUPAC name of N-[[(2R)-pyrrolidin-2-yl]methyl]-1-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine (CID 163218522) is N-[[(2R)-pyrrolidin-2-yl]methyl]-1-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine.
What is the SMILES notation for N-[[(2R)-pyrrolidin-2-yl]methyl]-1-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine?
The canonical SMILES for N-[[(2R)-pyrrolidin-2-yl]methyl]-1-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine is FC(F)(F)Oc1cccc(C2(NC[C@H]3CCCN3)CCC2)c1.
What is the InChIKey of N-[[(2R)-pyrrolidin-2-yl]methyl]-1-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine?
The InChIKey is VKQBKZASMXAAHD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21F3N2O/c17-16(18,19)22-14-6-1-4-12(10-14)15(7-3-8-15)21-11-13-5-2-9-20-13/h1,4,6,10,13,20-21H,2-3,5,7-9,11H2/t13-/m1/s1.
What are the key properties of N-[[(2R)-pyrrolidin-2-yl]methyl]-1-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine?
N-[[(2R)-pyrrolidin-2-yl]methyl]-1-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine has a molecular weight of 314.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-pyrrolidin-2-yl]methyl]-1-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 163218522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).