2,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-1-amine

C14H15F3N2 — CID 79090433

IUPAC2,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-1-amine
SMILESCc1ccc(C)n1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2/c1-10-6-7-11(2)19(10)18-9-12-4-3-5-13(8-12)14(15,16)17/h3-8,18H,9H2,1-2H3
InChIKeyKVYVMFODQAXZLM-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.87
Rot. Bonds3

About 2,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-1-amine

2,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-1-amine (PubChem CID 79090433) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-1-amine
PubChem CID79090433
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name2,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-1-amine
SMILESCc1ccc(C)n1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2/c1-10-6-7-11(2)19(10)18-9-12-4-3-5-13(8-12)14(15,16)17/h3-8,18H,9H2,1-2H3
InChIKeyKVYVMFODQAXZLM-UHFFFAOYSA-N
XLogP3.87
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-1-amine?
The IUPAC name of 2,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-1-amine (CID 79090433) is 2,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-1-amine?
The canonical SMILES for 2,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-1-amine is Cc1ccc(C)n1NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-1-amine?
The InChIKey is KVYVMFODQAXZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-10-6-7-11(2)19(10)18-9-12-4-3-5-13(8-12)14(15,16)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-1-amine?
2,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-1-amine has a molecular weight of 268.28 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-1-amine is sourced from PubChem (CID 79090433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).