2,5-dimethyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrol-1-amine

C14H15F3N2 — CID 79100008

IUPAC2,5-dimethyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrol-1-amine
SMILESCc1ccc(C)n1NC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H15F3N2/c1-10-8-9-11(2)19(10)18-13(14(15,16)17)12-6-4-3-5-7-12/h3-9,13,18H,1-2H3
InChIKeyJDXKADWKYWIJTL-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.95
Rot. Bonds3

About 2,5-dimethyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrol-1-amine

2,5-dimethyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrol-1-amine (PubChem CID 79100008) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrol-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrol-1-amine
PubChem CID79100008
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name2,5-dimethyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrol-1-amine
SMILESCc1ccc(C)n1NC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H15F3N2/c1-10-8-9-11(2)19(10)18-13(14(15,16)17)12-6-4-3-5-7-12/h3-9,13,18H,1-2H3
InChIKeyJDXKADWKYWIJTL-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrol-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrol-1-amine?
The IUPAC name of 2,5-dimethyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrol-1-amine (CID 79100008) is 2,5-dimethyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrol-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrol-1-amine?
The canonical SMILES for 2,5-dimethyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrol-1-amine is Cc1ccc(C)n1NC(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,5-dimethyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrol-1-amine?
The InChIKey is JDXKADWKYWIJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-10-8-9-11(2)19(10)18-13(14(15,16)17)12-6-4-3-5-7-12/h3-9,13,18H,1-2H3.
What are the key properties of 2,5-dimethyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrol-1-amine?
2,5-dimethyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrol-1-amine has a molecular weight of 268.28 g/mol, XLogP of 3.95, 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-(2,2,2-trifluoro-1-phenylethyl)pyrrol-1-amine is sourced from PubChem (CID 79100008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).