N,N-dimethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]deca-1,3-dien-4-amine

C16H19F3N4O — CID 70933957

IUPACN,N-dimethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]deca-1,3-dien-4-amine
SMILESCN(C)C1=NC(c2cccc(OC(F)(F)F)c2)=NC12CCNCC2
InChIInChI=1S/C16H19F3N4O/c1-23(2)14-15(6-8-20-9-7-15)22-13(21-14)11-4-3-5-12(10-11)24-16(17,18)19/h3-5,10,20H,6-9H2,1-2H3
InChIKeyJBNBZBOMBWNBLT-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.43
Rot. Bonds2

About N,N-dimethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]deca-1,3-dien-4-amine

N,N-dimethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]deca-1,3-dien-4-amine (PubChem CID 70933957) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]deca-1,3-dien-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]deca-1,3-dien-4-amine
PubChem CID70933957
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC NameN,N-dimethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]deca-1,3-dien-4-amine
SMILESCN(C)C1=NC(c2cccc(OC(F)(F)F)c2)=NC12CCNCC2
InChIInChI=1S/C16H19F3N4O/c1-23(2)14-15(6-8-20-9-7-15)22-13(21-14)11-4-3-5-12(10-11)24-16(17,18)19/h3-5,10,20H,6-9H2,1-2H3
InChIKeyJBNBZBOMBWNBLT-UHFFFAOYSA-N
XLogP2.43
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-(2,8-diazaspiro[4.5]decan-8-yl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 66748506
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride
CID 167713453
1-(2,2-dimethylpropyl)-3-[3-(trifluoromethoxy)phenyl]benzene
CID 122487160
1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 121226455
4,5-dibromo-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole
CID 67133238
3,5-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrazole
CID 134365264
N,N,3,5-tetramethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]benzamide
CID 66816446
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]deca-1,3-dien-4-amine?
The IUPAC name of N,N-dimethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]deca-1,3-dien-4-amine (CID 70933957) is N,N-dimethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]deca-1,3-dien-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]deca-1,3-dien-4-amine?
The canonical SMILES for N,N-dimethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]deca-1,3-dien-4-amine is CN(C)C1=NC(c2cccc(OC(F)(F)F)c2)=NC12CCNCC2.
What is the InChIKey of N,N-dimethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]deca-1,3-dien-4-amine?
The InChIKey is JBNBZBOMBWNBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-23(2)14-15(6-8-20-9-7-15)22-13(21-14)11-4-3-5-12(10-11)24-16(17,18)19/h3-5,10,20H,6-9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]deca-1,3-dien-4-amine?
N,N-dimethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]deca-1,3-dien-4-amine has a molecular weight of 340.35 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]deca-1,3-dien-4-amine is sourced from PubChem (CID 70933957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).