3-[2-(3-bromophenyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine

C19H21BrN2 — CID 10383682

IUPAC3-[2-(3-bromophenyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1c(-c2cccc(Br)c2)[nH]c2ccccc12
InChIInChI=1S/C19H21BrN2/c1-22(2)12-6-10-17-16-9-3-4-11-18(16)21-19(17)14-7-5-8-15(20)13-14/h3-5,7-9,11,13,21H,6,10,12H2,1-2H3
InChIKeyLGYNZMKGCCCVLE-UHFFFAOYSA-N
MW357.30 g/mol
LogP5.09
Rot. Bonds5

About 3-[2-(3-bromophenyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine

3-[2-(3-bromophenyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine (PubChem CID 10383682) has the molecular formula C19H21BrN2 and a molecular weight of 357.30 g/mol. Its IUPAC name is 3-[2-(3-bromophenyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(3-bromophenyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine
PubChem CID10383682
Molecular FormulaC19H21BrN2
Molecular Weight357.30 g/mol
Exact Mass356.09
IUPAC Name3-[2-(3-bromophenyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1c(-c2cccc(Br)c2)[nH]c2ccccc12
InChIInChI=1S/C19H21BrN2/c1-22(2)12-6-10-17-16-9-3-4-11-18(16)21-19(17)14-7-5-8-15(20)13-14/h3-5,7-9,11,13,21H,6,10,12H2,1-2H3
InChIKeyLGYNZMKGCCCVLE-UHFFFAOYSA-N
XLogP5.09
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.30
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[2-(3-bromophenyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-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 3-[2-(3-bromophenyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-(3-bromophenyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine (CID 10383682) is 3-[2-(3-bromophenyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-(3-bromophenyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-(3-bromophenyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1c(-c2cccc(Br)c2)[nH]c2ccccc12.
What is the InChIKey of 3-[2-(3-bromophenyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is LGYNZMKGCCCVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2/c1-22(2)12-6-10-17-16-9-3-4-11-18(16)21-19(17)14-7-5-8-15(20)13-14/h3-5,7-9,11,13,21H,6,10,12H2,1-2H3.
What are the key properties of 3-[2-(3-bromophenyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine?
3-[2-(3-bromophenyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 357.30 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromophenyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 10383682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).