3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-yl]aniline

C20H25N3 — CID 166911852

IUPAC3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-yl]aniline
SMILESCC(C)Cn1cc(CCN)c2ccc(-c3cccc(N)c3)cc21
InChIInChI=1S/C20H25N3/c1-14(2)12-23-13-17(8-9-21)19-7-6-16(11-20(19)23)15-4-3-5-18(22)10-15/h3-7,10-11,13-14H,8-9,12,21-22H2,1-2H3
InChIKeyJBKNGFVHIVTTAC-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.05
Rot. Bonds5

About 3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-yl]aniline

3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-yl]aniline (PubChem CID 166911852) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-yl]aniline.

Molecular Properties

Compound Name3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-yl]aniline
PubChem CID166911852
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-yl]aniline
SMILESCC(C)Cn1cc(CCN)c2ccc(-c3cccc(N)c3)cc21
InChIInChI=1S/C20H25N3/c1-14(2)12-23-13-17(8-9-21)19-7-6-16(11-20(19)23)15-4-3-5-18(22)10-15/h3-7,10-11,13-14H,8-9,12,21-22H2,1-2H3
InChIKeyJBKNGFVHIVTTAC-UHFFFAOYSA-N
XLogP4.05
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-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 3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-yl]aniline?
The IUPAC name of 3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-yl]aniline (CID 166911852) is 3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-yl]aniline.
What is the SMILES notation for 3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-yl]aniline?
The canonical SMILES for 3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-yl]aniline is CC(C)Cn1cc(CCN)c2ccc(-c3cccc(N)c3)cc21.
What is the InChIKey of 3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-yl]aniline?
The InChIKey is JBKNGFVHIVTTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-14(2)12-23-13-17(8-9-21)19-7-6-16(11-20(19)23)15-4-3-5-18(22)10-15/h3-7,10-11,13-14H,8-9,12,21-22H2,1-2H3.
What are the key properties of 3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-yl]aniline?
3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-yl]aniline has a molecular weight of 307.44 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-yl]aniline is sourced from PubChem (CID 166911852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).