4-fluoro-N-[[1-methyl-3-[[methyl(naphthalen-1-ylmethyl)amino]methyl]indol-5-yl]methyl]aniline

C29H28FN3 — CID 155534209

IUPAC4-fluoro-N-[[1-methyl-3-[[methyl(naphthalen-1-ylmethyl)amino]methyl]indol-5-yl]methyl]aniline
SMILESCN(Cc1cccc2ccccc12)Cc1cn(C)c2ccc(CNc3ccc(F)cc3)cc12
InChIInChI=1S/C29H28FN3/c1-32(18-23-8-5-7-22-6-3-4-9-27(22)23)19-24-20-33(2)29-15-10-21(16-28(24)29)17-31-26-13-11-25(30)12-14-26/h3-16,20,31H,17-19H2,1-2H3
InChIKeyOUXFEAWFGCEPHH-UHFFFAOYSA-N
MW437.56 g/mol
LogP6.71
Rot. Bonds7

About 4-fluoro-N-[[1-methyl-3-[[methyl(naphthalen-1-ylmethyl)amino]methyl]indol-5-yl]methyl]aniline

4-fluoro-N-[[1-methyl-3-[[methyl(naphthalen-1-ylmethyl)amino]methyl]indol-5-yl]methyl]aniline (PubChem CID 155534209) has the molecular formula C29H28FN3 and a molecular weight of 437.56 g/mol. Its IUPAC name is 4-fluoro-N-[[1-methyl-3-[[methyl(naphthalen-1-ylmethyl)amino]methyl]indol-5-yl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[[1-methyl-3-[[methyl(naphthalen-1-ylmethyl)amino]methyl]indol-5-yl]methyl]aniline
PubChem CID155534209
Molecular FormulaC29H28FN3
Molecular Weight437.56 g/mol
Exact Mass437.23
IUPAC Name4-fluoro-N-[[1-methyl-3-[[methyl(naphthalen-1-ylmethyl)amino]methyl]indol-5-yl]methyl]aniline
SMILESCN(Cc1cccc2ccccc12)Cc1cn(C)c2ccc(CNc3ccc(F)cc3)cc12
InChIInChI=1S/C29H28FN3/c1-32(18-23-8-5-7-22-6-3-4-9-27(22)23)19-24-20-33(2)29-15-10-21(16-28(24)29)17-31-26-13-11-25(30)12-14-26/h3-16,20,31H,17-19H2,1-2H3
InChIKeyOUXFEAWFGCEPHH-UHFFFAOYSA-N
XLogP6.71
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.56
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[[1-methyl-3-[[methyl(naphthalen-1-ylmethyl)amino]methyl]indol-5-yl]methyl]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 4-fluoro-N-[[1-methyl-3-[[methyl(naphthalen-1-ylmethyl)amino]methyl]indol-5-yl]methyl]aniline?
The IUPAC name of 4-fluoro-N-[[1-methyl-3-[[methyl(naphthalen-1-ylmethyl)amino]methyl]indol-5-yl]methyl]aniline (CID 155534209) is 4-fluoro-N-[[1-methyl-3-[[methyl(naphthalen-1-ylmethyl)amino]methyl]indol-5-yl]methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[[1-methyl-3-[[methyl(naphthalen-1-ylmethyl)amino]methyl]indol-5-yl]methyl]aniline?
The canonical SMILES for 4-fluoro-N-[[1-methyl-3-[[methyl(naphthalen-1-ylmethyl)amino]methyl]indol-5-yl]methyl]aniline is CN(Cc1cccc2ccccc12)Cc1cn(C)c2ccc(CNc3ccc(F)cc3)cc12.
What is the InChIKey of 4-fluoro-N-[[1-methyl-3-[[methyl(naphthalen-1-ylmethyl)amino]methyl]indol-5-yl]methyl]aniline?
The InChIKey is OUXFEAWFGCEPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN3/c1-32(18-23-8-5-7-22-6-3-4-9-27(22)23)19-24-20-33(2)29-15-10-21(16-28(24)29)17-31-26-13-11-25(30)12-14-26/h3-16,20,31H,17-19H2,1-2H3.
What are the key properties of 4-fluoro-N-[[1-methyl-3-[[methyl(naphthalen-1-ylmethyl)amino]methyl]indol-5-yl]methyl]aniline?
4-fluoro-N-[[1-methyl-3-[[methyl(naphthalen-1-ylmethyl)amino]methyl]indol-5-yl]methyl]aniline has a molecular weight of 437.56 g/mol, XLogP of 6.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[1-methyl-3-[[methyl(naphthalen-1-ylmethyl)amino]methyl]indol-5-yl]methyl]aniline is sourced from PubChem (CID 155534209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).