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

C13H21F3N2 — CID 79097392

IUPACN-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine
SMILESCCNC(c1ccn(CCC(F)(F)F)c1)C(C)C
InChIInChI=1S/C13H21F3N2/c1-4-17-12(10(2)3)11-5-7-18(9-11)8-6-13(14,15)16/h5,7,9-10,12,17H,4,6,8H2,1-3H3
InChIKeyNRGFDFKOLLYGLO-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.75
Rot. Bonds6

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

N-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine (PubChem CID 79097392) has the molecular formula C13H21F3N2 and a molecular weight of 262.32 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine
PubChem CID79097392
Molecular FormulaC13H21F3N2
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC NameN-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine
SMILESCCNC(c1ccn(CCC(F)(F)F)c1)C(C)C
InChIInChI=1S/C13H21F3N2/c1-4-17-12(10(2)3)11-5-7-18(9-11)8-6-13(14,15)16/h5,7,9-10,12,17H,4,6,8H2,1-3H3
InChIKeyNRGFDFKOLLYGLO-UHFFFAOYSA-N
XLogP3.75
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine (CID 79097392) is N-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine is CCNC(c1ccn(CCC(F)(F)F)c1)C(C)C.
What is the InChIKey of N-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine?
The InChIKey is NRGFDFKOLLYGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2/c1-4-17-12(10(2)3)11-5-7-18(9-11)8-6-13(14,15)16/h5,7,9-10,12,17H,4,6,8H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine?
N-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine has a molecular weight of 262.32 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79097392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).