N-[[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine

C18H19ClF3N3 — CID 67531932

IUPACN-[[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(C[C@H]1CNC[C@@H]1c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H19ClF3N3/c1-25(17-7-4-14(9-24-17)18(20,21)22)11-13-8-23-10-16(13)12-2-5-15(19)6-3-12/h2-7,9,13,16,23H,8,10-11H2,1H3/t13-,16-/m1/s1
InChIKeyYQYXWGLIYZFVLL-CZUORRHYSA-N
MW369.82 g/mol
LogP4.19
Rot. Bonds4

About N-[[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine

N-[[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 67531932) has the molecular formula C18H19ClF3N3 and a molecular weight of 369.82 g/mol. Its IUPAC name is N-[[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID67531932
Molecular FormulaC18H19ClF3N3
Molecular Weight369.82 g/mol
Exact Mass369.12
IUPAC NameN-[[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(C[C@H]1CNC[C@@H]1c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H19ClF3N3/c1-25(17-7-4-14(9-24-17)18(20,21)22)11-13-8-23-10-16(13)12-2-5-15(19)6-3-12/h2-7,9,13,16,23H,8,10-11H2,1H3/t13-,16-/m1/s1
InChIKeyYQYXWGLIYZFVLL-CZUORRHYSA-N
XLogP4.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.82
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-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 N-[[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine (CID 67531932) is N-[[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine is CN(C[C@H]1CNC[C@@H]1c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YQYXWGLIYZFVLL-CZUORRHYSA-N. The full InChI is InChI=1S/C18H19ClF3N3/c1-25(17-7-4-14(9-24-17)18(20,21)22)11-13-8-23-10-16(13)12-2-5-15(19)6-3-12/h2-7,9,13,16,23H,8,10-11H2,1H3/t13-,16-/m1/s1.
What are the key properties of N-[[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
N-[[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 369.82 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 67531932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).