2-chloro-5-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)aniline

C14H18ClF3N2 — CID 58366886

IUPAC2-chloro-5-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)aniline
SMILESCc1cc(NCCN2CCCC2)c(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H18ClF3N2/c1-10-8-11(14(16,17)18)13(15)12(9-10)19-4-7-20-5-2-3-6-20/h8-9,19H,2-7H2,1H3
InChIKeyAJJFYTWABGUOBC-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.17
Rot. Bonds4

About 2-chloro-5-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)aniline

2-chloro-5-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)aniline (PubChem CID 58366886) has the molecular formula C14H18ClF3N2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-5-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)aniline
PubChem CID58366886
Molecular FormulaC14H18ClF3N2
Molecular Weight306.76 g/mol
Exact Mass306.11
IUPAC Name2-chloro-5-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)aniline
SMILESCc1cc(NCCN2CCCC2)c(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H18ClF3N2/c1-10-8-11(14(16,17)18)13(15)12(9-10)19-4-7-20-5-2-3-6-20/h8-9,19H,2-7H2,1H3
InChIKeyAJJFYTWABGUOBC-UHFFFAOYSA-N
XLogP4.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-5-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)aniline 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-chloro-5-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-5-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)aniline (CID 58366886) is 2-chloro-5-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-5-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-5-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)aniline is Cc1cc(NCCN2CCCC2)c(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-5-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)aniline?
The InChIKey is AJJFYTWABGUOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2/c1-10-8-11(14(16,17)18)13(15)12(9-10)19-4-7-20-5-2-3-6-20/h8-9,19H,2-7H2,1H3.
What are the key properties of 2-chloro-5-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)aniline?
2-chloro-5-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)aniline has a molecular weight of 306.76 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 58366886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).