N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanamine

C9H13F3N2O — CID 66404285

IUPACN-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanamine
SMILESCNCc1ccn(CCOC(F)(F)F)c1
InChIInChI=1S/C9H13F3N2O/c1-13-6-8-2-3-14(7-8)4-5-15-9(10,11)12/h2-3,7,13H,4-6H2,1H3
InChIKeyGBJUZORNWVFKSV-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.74
Rot. Bonds5

About N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanamine

N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanamine (PubChem CID 66404285) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanamine
PubChem CID66404285
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC NameN-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanamine
SMILESCNCc1ccn(CCOC(F)(F)F)c1
InChIInChI=1S/C9H13F3N2O/c1-13-6-8-2-3-14(7-8)4-5-15-9(10,11)12/h2-3,7,13H,4-6H2,1H3
InChIKeyGBJUZORNWVFKSV-UHFFFAOYSA-N
XLogP1.74
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-3-yl]methanamine
CID 66405496
1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine
CID 66406100
1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine
CID 66406724
N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine
CID 66404275
1-[2-(trifluoromethoxy)ethyl]pyridin-4-one
CID 116622401
N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine
CID 79108808
N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine
CID 66192704
2-fluoro-5-[[3-(methylaminomethyl)pyrrol-1-yl]methyl]benzonitrile
CID 107883313
1-[1-(difluoromethyl)pyrrol-3-yl]-N-methylmethanamine
CID 66405503
1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66404693
1-[3-(methylaminomethyl)pyrrol-1-yl]propan-2-ol
CID 66406506
N-methyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide
CID 66404281

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanamine (CID 66404285) is N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanamine is CNCc1ccn(CCOC(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanamine?
The InChIKey is GBJUZORNWVFKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-13-6-8-2-3-14(7-8)4-5-15-9(10,11)12/h2-3,7,13H,4-6H2,1H3.
What are the key properties of N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanamine?
N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanamine has a molecular weight of 222.21 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanamine is sourced from PubChem (CID 66404285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).