2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine

C11H17F3N2O — CID 79097368

IUPAC2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine
SMILESCC(C)C(N)c1ccn(CCOC(F)(F)F)c1
InChIInChI=1S/C11H17F3N2O/c1-8(2)10(15)9-3-4-16(7-9)5-6-17-11(12,13)14/h3-4,7-8,10H,5-6,15H2,1-2H3
InChIKeyDLNGFBMHUYCGLC-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.68
Rot. Bonds5

About 2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine

2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine (PubChem CID 79097368) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine
PubChem CID79097368
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine
SMILESCC(C)C(N)c1ccn(CCOC(F)(F)F)c1
InChIInChI=1S/C11H17F3N2O/c1-8(2)10(15)9-3-4-16(7-9)5-6-17-11(12,13)14/h3-4,7-8,10H,5-6,15H2,1-2H3
InChIKeyDLNGFBMHUYCGLC-UHFFFAOYSA-N
XLogP2.68
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine (CID 79097368) is 2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine is CC(C)C(N)c1ccn(CCOC(F)(F)F)c1.
What is the InChIKey of 2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine?
The InChIKey is DLNGFBMHUYCGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-8(2)10(15)9-3-4-16(7-9)5-6-17-11(12,13)14/h3-4,7-8,10H,5-6,15H2,1-2H3.
What are the key properties of 2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine?
2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine has a molecular weight of 250.26 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79097368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).