[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine

C10H15F3N2O — CID 66409945

IUPAC[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine
SMILESNCc1ccn(CCCOCC(F)(F)F)c1
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)8-16-5-1-3-15-4-2-9(6-14)7-15/h2,4,7H,1,3,5-6,8,14H2
InChIKeyJGFAFSRMMWCTGF-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.92
Rot. Bonds6

About [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine

[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine (PubChem CID 66409945) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine
PubChem CID66409945
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine
SMILESNCc1ccn(CCCOCC(F)(F)F)c1
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)8-16-5-1-3-15-4-2-9(6-14)7-15/h2,4,7H,1,3,5-6,8,14H2
InChIKeyJGFAFSRMMWCTGF-UHFFFAOYSA-N
XLogP1.92
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]methanamine
CID 115515089
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine
CID 104565446
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-3-yl]methanamine
CID 66405496
[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methanamine
CID 62727099
N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]ethanamine
CID 79098535
[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine
CID 66407103
[1-(2-propoxyethyl)pyrrol-3-yl]methanamine
CID 106455260
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-3-yl]butan-2-amine
CID 66399908
N-[1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099551
N-ethyl-2-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine
CID 79109121
4-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole
CID 106720831
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine
CID 106721209

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine?
The IUPAC name of [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine (CID 66409945) is [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine?
The canonical SMILES for [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine is NCc1ccn(CCCOCC(F)(F)F)c1.
What is the InChIKey of [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine?
The InChIKey is JGFAFSRMMWCTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c11-10(12,13)8-16-5-1-3-15-4-2-9(6-14)7-15/h2,4,7H,1,3,5-6,8,14H2.
What are the key properties of [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine?
[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine has a molecular weight of 236.24 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine is sourced from PubChem (CID 66409945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).