N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]propan-2-amine

C10H15F3N2 — CID 137430400

IUPACN-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]propan-2-amine
SMILESCC(C)NCCn1ccc(C(F)(F)F)c1
InChIInChI=1S/C10H15F3N2/c1-8(2)14-4-6-15-5-3-9(7-15)10(11,12)13/h3,5,7-8,14H,4,6H2,1-2H3
InChIKeyXPPBBULEDLADEU-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.50
Rot. Bonds4

About N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]propan-2-amine

N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]propan-2-amine (PubChem CID 137430400) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]propan-2-amine
PubChem CID137430400
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC NameN-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]propan-2-amine
SMILESCC(C)NCCn1ccc(C(F)(F)F)c1
InChIInChI=1S/C10H15F3N2/c1-8(2)14-4-6-15-5-3-9(7-15)10(11,12)13/h3,5,7-8,14H,4,6H2,1-2H3
InChIKeyXPPBBULEDLADEU-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]propan-2-amine (CID 137430400) is N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]propan-2-amine is CC(C)NCCn1ccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]propan-2-amine?
The InChIKey is XPPBBULEDLADEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-8(2)14-4-6-15-5-3-9(7-15)10(11,12)13/h3,5,7-8,14H,4,6H2,1-2H3.
What are the key properties of N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]propan-2-amine?
N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]propan-2-amine has a molecular weight of 220.24 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]propan-2-amine is sourced from PubChem (CID 137430400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).