N-[2-[2-(2-aminoethyl)-1-benzhydryl-5-chloroindol-3-yl]ethyl]aniline

C31H30ClN3 — CID 141071964

IUPACN-[2-[2-(2-aminoethyl)-1-benzhydryl-5-chloroindol-3-yl]ethyl]aniline
SMILESNCCc1c(CCNc2ccccc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H30ClN3/c32-25-16-17-29-28(22-25)27(19-21-34-26-14-8-3-9-15-26)30(18-20-33)35(29)31(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-17,22,31,34H,18-21,33H2
InChIKeyVFNWGXUEBLLFNE-UHFFFAOYSA-N
MW480.06 g/mol
LogP7.09
Rot. Bonds9

About N-[2-[2-(2-aminoethyl)-1-benzhydryl-5-chloroindol-3-yl]ethyl]aniline

N-[2-[2-(2-aminoethyl)-1-benzhydryl-5-chloroindol-3-yl]ethyl]aniline (PubChem CID 141071964) has the molecular formula C31H30ClN3 and a molecular weight of 480.06 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethyl)-1-benzhydryl-5-chloroindol-3-yl]ethyl]aniline.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethyl)-1-benzhydryl-5-chloroindol-3-yl]ethyl]aniline
PubChem CID141071964
Molecular FormulaC31H30ClN3
Molecular Weight480.06 g/mol
Exact Mass479.21
IUPAC NameN-[2-[2-(2-aminoethyl)-1-benzhydryl-5-chloroindol-3-yl]ethyl]aniline
SMILESNCCc1c(CCNc2ccccc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H30ClN3/c32-25-16-17-29-28(22-25)27(19-21-34-26-14-8-3-9-15-26)30(18-20-33)35(29)31(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-17,22,31,34H,18-21,33H2
InChIKeyVFNWGXUEBLLFNE-UHFFFAOYSA-N
XLogP7.09
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.06
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[2-(2-aminoethyl)-1-benzhydryl-5-chloroindol-3-yl]ethyl]aniline with MolForge

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

Launch Full Analysis

Related Compounds

[1-benzhydryl-3-(2-bromoethyl)-5-chloroindol-2-yl]methoxy-tert-butyl-dimethylsilane
CID 70160579
4-[2-[1-benzhydryl-5-chloro-2-[2-[(4-fluorophenyl)methylsulfonylamino]ethyl]indol-3-yl]ethoxy]benzoic acid
CID 10197158
1-[2-amino-6-(trifluoromethyl)phenyl]-N-[2-[1-benzhydryl-5-chloro-3-[3-(4-methylphenyl)propyl]indol-2-yl]ethyl]methanesulfinamide
CID 143666820
4-[2-[1-benzhydryl-5-chloro-2-(hydroxymethyl)indol-3-yl]ethylsulfonyl]benzoic acid
CID 18373312
4-[2-[1-benzhydryl-2-[2-[(2-tert-butylphenyl)sulfonylamino]ethyl]-5-chloroindol-3-yl]ethoxy]benzoic acid
CID 68685540
methyl 4-[3-[1-benzhydryl-5-chloro-2-[2-(ethenylsulfonylamino)ethyl]indol-3-yl]propyl]benzoate
CID 25223101
4-[2-[1-benzhydryl-5-chloro-2-[2-[[(E)-2-phenylethenyl]sulfonylamino]ethyl]indol-3-yl]ethoxy]benzoic acid
CID 10153539
methyl 4-[3-[1-benzhydryl-5-chloro-2-[2-(2-morpholin-4-ylethylsulfonylamino)ethyl]indol-3-yl]propyl]benzoate
CID 25223595
4-[2-[1-benzhydryl-5-chloro-2-[2-[(2-methoxyphenyl)sulfanylmethylsulfonylamino]ethyl]indol-3-yl]ethoxy]benzoic acid
CID 10197239
2-[2-[1-benzhydryl-5-chloro-2-[2-(N-methylsulfonylanilino)ethyl]indol-3-yl]ethoxy]benzoic acid
CID 68684782
N-[2-(2,5-dichlorophenyl)ethyl]aniline
CID 63952494
methyl 3-[4-[2-[1-benzhydryl-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-chloroindol-3-yl]ethylsulfonyl]phenyl]propanoate
CID 68983922

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethyl)-1-benzhydryl-5-chloroindol-3-yl]ethyl]aniline?
The IUPAC name of N-[2-[2-(2-aminoethyl)-1-benzhydryl-5-chloroindol-3-yl]ethyl]aniline (CID 141071964) is N-[2-[2-(2-aminoethyl)-1-benzhydryl-5-chloroindol-3-yl]ethyl]aniline.
What is the SMILES notation for N-[2-[2-(2-aminoethyl)-1-benzhydryl-5-chloroindol-3-yl]ethyl]aniline?
The canonical SMILES for N-[2-[2-(2-aminoethyl)-1-benzhydryl-5-chloroindol-3-yl]ethyl]aniline is NCCc1c(CCNc2ccccc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[2-(2-aminoethyl)-1-benzhydryl-5-chloroindol-3-yl]ethyl]aniline?
The InChIKey is VFNWGXUEBLLFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30ClN3/c32-25-16-17-29-28(22-25)27(19-21-34-26-14-8-3-9-15-26)30(18-20-33)35(29)31(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-17,22,31,34H,18-21,33H2.
What are the key properties of N-[2-[2-(2-aminoethyl)-1-benzhydryl-5-chloroindol-3-yl]ethyl]aniline?
N-[2-[2-(2-aminoethyl)-1-benzhydryl-5-chloroindol-3-yl]ethyl]aniline has a molecular weight of 480.06 g/mol, XLogP of 7.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethyl)-1-benzhydryl-5-chloroindol-3-yl]ethyl]aniline is sourced from PubChem (CID 141071964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).