2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine

C13H13F3N2 — CID 147131024

IUPAC2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine
SMILESNCCc1cccn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2/c14-13(15,16)10-3-5-12(6-4-10)18-9-1-2-11(18)7-8-17/h1-6,9H,7-8,17H2
InChIKeyBQFKHCHVQYEZRI-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.00
Rot. Bonds3

About 2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine

2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine (PubChem CID 147131024) has the molecular formula C13H13F3N2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine
PubChem CID147131024
Molecular FormulaC13H13F3N2
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Name2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine
SMILESNCCc1cccn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2/c14-13(15,16)10-3-5-12(6-4-10)18-9-1-2-11(18)7-8-17/h1-6,9H,7-8,17H2
InChIKeyBQFKHCHVQYEZRI-UHFFFAOYSA-N
XLogP3.00
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine
CID 82282287
2-[1-(4-ethylphenyl)pyrrol-2-yl]ethanamine
CID 82284564
2-amino-3-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]propan-1-ol;hydrochloride
CID 170892592
2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine
CID 82286447
2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine
CID 84670674
2-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethanamine
CID 116618047
3-[1-(3-fluorophenyl)pyrrol-2-yl]propan-1-amine
CID 170879074
2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine
CID 82299800
4-(2-aminoethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 115068762
2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
CID 82305490
2-[1-(6-methyl-2-pyridinyl)pyrrol-2-yl]ethanamine
CID 170868965
1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one
CID 16719924

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine?
The IUPAC name of 2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine (CID 147131024) is 2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine is NCCc1cccn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine?
The InChIKey is BQFKHCHVQYEZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c14-13(15,16)10-3-5-12(6-4-10)18-9-1-2-11(18)7-8-17/h1-6,9H,7-8,17H2.
What are the key properties of 2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine?
2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine has a molecular weight of 254.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 147131024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).