N-[[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methyl]propan-1-amine

C10H15F3N2 — CID 66404940

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccn(CC(F)(F)F)c1
InChIInChI=1S/C10H15F3N2/c1-2-4-14-6-9-3-5-15(7-9)8-10(11,12)13/h3,5,7,14H,2,4,6,8H2,1H3
InChIKeyZAKCDUCMCGDJDZ-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.55
Rot. Bonds5

About N-[[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methyl]propan-1-amine

N-[[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methyl]propan-1-amine (PubChem CID 66404940) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methyl]propan-1-amine
PubChem CID66404940
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccn(CC(F)(F)F)c1
InChIInChI=1S/C10H15F3N2/c1-2-4-14-6-9-3-5-15(7-9)8-10(11,12)13/h3,5,7,14H,2,4,6,8H2,1H3
InChIKeyZAKCDUCMCGDJDZ-UHFFFAOYSA-N
XLogP2.55
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405935
N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404929
N-[[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66406340
N-[1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]ethyl]propan-1-amine
CID 79099254
N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 105372657
N-[[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66404531
N-[[1-(3-ethylsulfonylpropyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66406766
N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405540
[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine
CID 66407103
N-[[1-(phenylmethoxymethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 102940118
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 106265022
N-[[1-[(3-bromophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66406962

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methyl]propan-1-amine (CID 66404940) is N-[[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methyl]propan-1-amine is CCCNCc1ccn(CC(F)(F)F)c1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methyl]propan-1-amine?
The InChIKey is ZAKCDUCMCGDJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-2-4-14-6-9-3-5-15(7-9)8-10(11,12)13/h3,5,7,14H,2,4,6,8H2,1H3.
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methyl]propan-1-amine?
N-[[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methyl]propan-1-amine has a molecular weight of 220.24 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 66404940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).