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

C10H15F3N2 — CID 79105500

IUPACN-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine
SMILESCCC(NC)c1ccn(CC(F)(F)F)c1
InChIInChI=1S/C10H15F3N2/c1-3-9(14-2)8-4-5-15(6-8)7-10(11,12)13/h4-6,9,14H,3,7H2,1-2H3
InChIKeyDQHPZTZZTUWMBH-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.72
Rot. Bonds4

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

N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine (PubChem CID 79105500) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine
PubChem CID79105500
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC NameN-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine
SMILESCCC(NC)c1ccn(CC(F)(F)F)c1
InChIInChI=1S/C10H15F3N2/c1-3-9(14-2)8-4-5-15(6-8)7-10(11,12)13/h4-6,9,14H,3,7H2,1-2H3
InChIKeyDQHPZTZZTUWMBH-UHFFFAOYSA-N
XLogP2.72
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine?
The IUPAC name of N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine (CID 79105500) is N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine is CCC(NC)c1ccn(CC(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine?
The InChIKey is DQHPZTZZTUWMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-3-9(14-2)8-4-5-15(6-8)7-10(11,12)13/h4-6,9,14H,3,7H2,1-2H3.
What are the key properties of N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine?
N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine has a molecular weight of 220.24 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79105500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).