N-[3-(6-bromoindol-1-yl)propyl]aniline

C17H17BrN2 — CID 63506154

IUPACN-[3-(6-bromoindol-1-yl)propyl]aniline
SMILESBrc1ccc2ccn(CCCNc3ccccc3)c2c1
InChIInChI=1S/C17H17BrN2/c18-15-8-7-14-9-12-20(17(14)13-15)11-4-10-19-16-5-2-1-3-6-16/h1-3,5-9,12-13,19H,4,10-11H2
InChIKeyGMLXZXJJRIDHMJ-UHFFFAOYSA-N
MW329.24 g/mol
LogP4.91
Rot. Bonds5

About N-[3-(6-bromoindol-1-yl)propyl]aniline

N-[3-(6-bromoindol-1-yl)propyl]aniline (PubChem CID 63506154) has the molecular formula C17H17BrN2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-[3-(6-bromoindol-1-yl)propyl]aniline.

Molecular Properties

Compound NameN-[3-(6-bromoindol-1-yl)propyl]aniline
PubChem CID63506154
Molecular FormulaC17H17BrN2
Molecular Weight329.24 g/mol
Exact Mass328.06
IUPAC NameN-[3-(6-bromoindol-1-yl)propyl]aniline
SMILESBrc1ccc2ccn(CCCNc3ccccc3)c2c1
InChIInChI=1S/C17H17BrN2/c18-15-8-7-14-9-12-20(17(14)13-15)11-4-10-19-16-5-2-1-3-6-16/h1-3,5-9,12-13,19H,4,10-11H2
InChIKeyGMLXZXJJRIDHMJ-UHFFFAOYSA-N
XLogP4.91
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(6-bromoindol-1-yl)propyl]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

N-[3-[6-(1,2,4-triazol-4-yl)indol-1-yl]propyl]aniline
CID 19361591
6-bromo-1-(4-phenylbutyl)indole
CID 114334825
N-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine
CID 62567358
6-bromo-1-(2-fluoroethyl)indole
CID 116622037
4-(6-bromoindol-1-yl)butan-1-ol
CID 116621821
4-(6-bromoindol-1-yl)butan-1-amine
CID 62566051
6-bromo-1-(3-methylsulfonylpropyl)indole
CID 116621947
3-(6-bromoindol-1-yl)-1-phenylpropan-1-one
CID 116691910
1-[2-(3-bromoanilino)ethyl]indole-6-carbonitrile
CID 107916920
[1-(3-anilinopropyl)indol-5-yl] methanesulfonate
CID 90932806
6-bromo-1-(2-methylsulfonylethyl)indole
CID 116621937
6-bromo-1-but-3-enylindole
CID 116622027

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-bromoindol-1-yl)propyl]aniline?
The IUPAC name of N-[3-(6-bromoindol-1-yl)propyl]aniline (CID 63506154) is N-[3-(6-bromoindol-1-yl)propyl]aniline.
What is the SMILES notation for N-[3-(6-bromoindol-1-yl)propyl]aniline?
The canonical SMILES for N-[3-(6-bromoindol-1-yl)propyl]aniline is Brc1ccc2ccn(CCCNc3ccccc3)c2c1.
What is the InChIKey of N-[3-(6-bromoindol-1-yl)propyl]aniline?
The InChIKey is GMLXZXJJRIDHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2/c18-15-8-7-14-9-12-20(17(14)13-15)11-4-10-19-16-5-2-1-3-6-16/h1-3,5-9,12-13,19H,4,10-11H2.
What are the key properties of N-[3-(6-bromoindol-1-yl)propyl]aniline?
N-[3-(6-bromoindol-1-yl)propyl]aniline has a molecular weight of 329.24 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-bromoindol-1-yl)propyl]aniline is sourced from PubChem (CID 63506154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).