N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine

C14H23F3N2O — CID 79108808

IUPACN-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine
SMILESCCCNC(CCC)c1ccn(CCOC(F)(F)F)c1
InChIInChI=1S/C14H23F3N2O/c1-3-5-13(18-7-4-2)12-6-8-19(11-12)9-10-20-14(15,16)17/h6,8,11,13,18H,3-5,7,9-10H2,1-2H3
InChIKeyFUDACJHIDOVETK-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.87
Rot. Bonds9

About N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine

N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine (PubChem CID 79108808) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound NameN-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine
PubChem CID79108808
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC NameN-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine
SMILESCCCNC(CCC)c1ccn(CCOC(F)(F)F)c1
InChIInChI=1S/C14H23F3N2O/c1-3-5-13(18-7-4-2)12-6-8-19(11-12)9-10-20-14(15,16)17/h6,8,11,13,18H,3-5,7,9-10H2,1-2H3
InChIKeyFUDACJHIDOVETK-UHFFFAOYSA-N
XLogP3.87
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79109745
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 112591101
N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine
CID 112591103
N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]butan-1-amine
CID 106717780
N-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine
CID 79108315
1-[1-[(2-bromophenyl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79108247
1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79108751
1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 79109268
2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol
CID 79107966
1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79108633
N-[1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099551
N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine
CID 79107829

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine?
The IUPAC name of N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine (CID 79108808) is N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine?
The canonical SMILES for N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine is CCCNC(CCC)c1ccn(CCOC(F)(F)F)c1.
What is the InChIKey of N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine?
The InChIKey is FUDACJHIDOVETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-3-5-13(18-7-4-2)12-6-8-19(11-12)9-10-20-14(15,16)17/h6,8,11,13,18H,3-5,7,9-10H2,1-2H3.
What are the key properties of N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine?
N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine has a molecular weight of 292.35 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 79108808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).