3,3,3-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-1-amine

C11H17F3N2 — CID 63226567

IUPAC3,3,3-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-1-amine
SMILESCc1cc(CNCCC(F)(F)F)c(C)n1C
InChIInChI=1S/C11H17F3N2/c1-8-6-10(9(2)16(8)3)7-15-5-4-11(12,13)14/h6,15H,4-5,7H2,1-3H3
InChIKeyBLPYHGFLQBAHMM-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.68
Rot. Bonds4

About 3,3,3-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-1-amine

3,3,3-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-1-amine (PubChem CID 63226567) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-1-amine
PubChem CID63226567
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name3,3,3-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-1-amine
SMILESCc1cc(CNCCC(F)(F)F)c(C)n1C
InChIInChI=1S/C11H17F3N2/c1-8-6-10(9(2)16(8)3)7-15-5-4-11(12,13)14/h6,15H,4-5,7H2,1-3H3
InChIKeyBLPYHGFLQBAHMM-UHFFFAOYSA-N
XLogP2.68
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3,3-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-1-amine (CID 63226567) is 3,3,3-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-1-amine is Cc1cc(CNCCC(F)(F)F)c(C)n1C.
What is the InChIKey of 3,3,3-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-1-amine?
The InChIKey is BLPYHGFLQBAHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-8-6-10(9(2)16(8)3)7-15-5-4-11(12,13)14/h6,15H,4-5,7H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-1-amine?
3,3,3-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-1-amine has a molecular weight of 234.26 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 63226567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).