N-[cyclopropyl-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]ethanamine

C15H23F3N2O — CID 79098772

IUPACN-[cyclopropyl-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]ethanamine
SMILESCCNC(c1ccn(CCCOCC(F)(F)F)c1)C1CC1
InChIInChI=1S/C15H23F3N2O/c1-2-19-14(12-4-5-12)13-6-8-20(10-13)7-3-9-21-11-15(16,17)18/h6,8,10,12,14,19H,2-5,7,9,11H2,1H3
InChIKeyCIRSAXCJHYSJGP-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.52
Rot. Bonds9

About N-[cyclopropyl-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]ethanamine

N-[cyclopropyl-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]ethanamine (PubChem CID 79098772) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[cyclopropyl-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]ethanamine
PubChem CID79098772
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC NameN-[cyclopropyl-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]ethanamine
SMILESCCNC(c1ccn(CCCOCC(F)(F)F)c1)C1CC1
InChIInChI=1S/C15H23F3N2O/c1-2-19-14(12-4-5-12)13-6-8-20(10-13)7-3-9-21-11-15(16,17)18/h6,8,10,12,14,19H,2-5,7,9,11H2,1H3
InChIKeyCIRSAXCJHYSJGP-UHFFFAOYSA-N
XLogP3.52
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[cyclopropyl-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]ethanamine 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 N-[cyclopropyl-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]ethanamine?
The IUPAC name of N-[cyclopropyl-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]ethanamine (CID 79098772) is N-[cyclopropyl-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]ethanamine is CCNC(c1ccn(CCCOCC(F)(F)F)c1)C1CC1.
What is the InChIKey of N-[cyclopropyl-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]ethanamine?
The InChIKey is CIRSAXCJHYSJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-2-19-14(12-4-5-12)13-6-8-20(10-13)7-3-9-21-11-15(16,17)18/h6,8,10,12,14,19H,2-5,7,9,11H2,1H3.
What are the key properties of N-[cyclopropyl-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]ethanamine?
N-[cyclopropyl-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]ethanamine has a molecular weight of 304.36 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 79098772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).