5-chloro-2-(6-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)aniline

C19H21ClFN3 — CID 165388950

IUPAC5-chloro-2-(6-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)aniline
SMILESCN1CC2(CCN(c3ccc(Cl)cc3N)CC2)c2ccc(F)cc21
InChIInChI=1S/C19H21ClFN3/c1-23-12-19(15-4-3-14(21)11-18(15)23)6-8-24(9-7-19)17-5-2-13(20)10-16(17)22/h2-5,10-11H,6-9,12,22H2,1H3
InChIKeyPHAGGJFWVOYPKJ-UHFFFAOYSA-N
MW345.85 g/mol
LogP4.05
Rot. Bonds1

About 5-chloro-2-(6-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)aniline

5-chloro-2-(6-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)aniline (PubChem CID 165388950) has the molecular formula C19H21ClFN3 and a molecular weight of 345.85 g/mol. Its IUPAC name is 5-chloro-2-(6-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)aniline.

Molecular Properties

Compound Name5-chloro-2-(6-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)aniline
PubChem CID165388950
Molecular FormulaC19H21ClFN3
Molecular Weight345.85 g/mol
Exact Mass345.14
IUPAC Name5-chloro-2-(6-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)aniline
SMILESCN1CC2(CCN(c3ccc(Cl)cc3N)CC2)c2ccc(F)cc21
InChIInChI=1S/C19H21ClFN3/c1-23-12-19(15-4-3-14(21)11-18(15)23)6-8-24(9-7-19)17-5-2-13(20)10-16(17)22/h2-5,10-11H,6-9,12,22H2,1H3
InChIKeyPHAGGJFWVOYPKJ-UHFFFAOYSA-N
XLogP4.05
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-chloro-2-(6-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)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 5-chloro-2-(6-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)aniline?
The IUPAC name of 5-chloro-2-(6-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)aniline (CID 165388950) is 5-chloro-2-(6-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)aniline.
What is the SMILES notation for 5-chloro-2-(6-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)aniline?
The canonical SMILES for 5-chloro-2-(6-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)aniline is CN1CC2(CCN(c3ccc(Cl)cc3N)CC2)c2ccc(F)cc21.
What is the InChIKey of 5-chloro-2-(6-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)aniline?
The InChIKey is PHAGGJFWVOYPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3/c1-23-12-19(15-4-3-14(21)11-18(15)23)6-8-24(9-7-19)17-5-2-13(20)10-16(17)22/h2-5,10-11H,6-9,12,22H2,1H3.
What are the key properties of 5-chloro-2-(6-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)aniline?
5-chloro-2-(6-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)aniline has a molecular weight of 345.85 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(6-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)aniline is sourced from PubChem (CID 165388950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).