1H-pyrrol-2-yl-[3-(trifluoromethyl)phenyl]methanamine

C12H11F3N2 — CID 112742722

IUPAC1H-pyrrol-2-yl-[3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cccc(C(F)(F)F)c1)c1ccc[nH]1
InChIInChI=1S/C12H11F3N2/c13-12(14,15)9-4-1-3-8(7-9)11(16)10-5-2-6-17-10/h1-7,11,17H,16H2
InChIKeyZINPFROUCJYUFV-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.08
Rot. Bonds2

About 1H-pyrrol-2-yl-[3-(trifluoromethyl)phenyl]methanamine

1H-pyrrol-2-yl-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 112742722) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 1H-pyrrol-2-yl-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1H-pyrrol-2-yl-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID112742722
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name1H-pyrrol-2-yl-[3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cccc(C(F)(F)F)c1)c1ccc[nH]1
InChIInChI=1S/C12H11F3N2/c13-12(14,15)9-4-1-3-8(7-9)11(16)10-5-2-6-17-10/h1-7,11,17H,16H2
InChIKeyZINPFROUCJYUFV-UHFFFAOYSA-N
XLogP3.08
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[3-(trifluoromethyl)phenyl]propyl]-1H-pyrrole
CID 90932009
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107974770
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
(2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107503114
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
(4-fluoro-3,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65299620
(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 28502674
(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206809
(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43825139
(1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 171311708
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-2-yl-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1H-pyrrol-2-yl-[3-(trifluoromethyl)phenyl]methanamine (CID 112742722) is 1H-pyrrol-2-yl-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1H-pyrrol-2-yl-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1H-pyrrol-2-yl-[3-(trifluoromethyl)phenyl]methanamine is NC(c1cccc(C(F)(F)F)c1)c1ccc[nH]1.
What is the InChIKey of 1H-pyrrol-2-yl-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ZINPFROUCJYUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c13-12(14,15)9-4-1-3-8(7-9)11(16)10-5-2-6-17-10/h1-7,11,17H,16H2.
What are the key properties of 1H-pyrrol-2-yl-[3-(trifluoromethyl)phenyl]methanamine?
1H-pyrrol-2-yl-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 240.23 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-2-yl-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 112742722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).