4-(3-bromo-2-methylindol-1-yl)-N-ethylbutan-1-amine

C15H21BrN2 — CID 62828884

IUPAC4-(3-bromo-2-methylindol-1-yl)-N-ethylbutan-1-amine
SMILESCCNCCCCn1c(C)c(Br)c2ccccc21
InChIInChI=1S/C15H21BrN2/c1-3-17-10-6-7-11-18-12(2)15(16)13-8-4-5-9-14(13)18/h4-5,8-9,17H,3,6-7,10-11H2,1-2H3
InChIKeyLZSZSBGJTKZEGU-UHFFFAOYSA-N
MW309.25 g/mol
LogP4.10
Rot. Bonds6

About 4-(3-bromo-2-methylindol-1-yl)-N-ethylbutan-1-amine

4-(3-bromo-2-methylindol-1-yl)-N-ethylbutan-1-amine (PubChem CID 62828884) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 4-(3-bromo-2-methylindol-1-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name4-(3-bromo-2-methylindol-1-yl)-N-ethylbutan-1-amine
PubChem CID62828884
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name4-(3-bromo-2-methylindol-1-yl)-N-ethylbutan-1-amine
SMILESCCNCCCCn1c(C)c(Br)c2ccccc21
InChIInChI=1S/C15H21BrN2/c1-3-17-10-6-7-11-18-12(2)15(16)13-8-4-5-9-14(13)18/h4-5,8-9,17H,3,6-7,10-11H2,1-2H3
InChIKeyLZSZSBGJTKZEGU-UHFFFAOYSA-N
XLogP4.10
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-bromo-2-methylindol-1-yl)-N-ethylbutan-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

Related Compounds

N-[2-(3-bromo-2-methylindol-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62830801
2-(3-bromo-2-methylindol-1-yl)ethanamine
CID 62830447
3-(3-bromo-2-methylindol-1-yl)propanal
CID 63038889
N-[2-(3-bromo-2-methylindol-1-yl)ethyl]-4-methylaniline
CID 63505677
hydrazinyl 3-(3-bromo-2-methylindol-1-yl)propanoate
CID 66338796
4-(3-bromo-2-methylindol-1-yl)-2-ethylbut-2-enoic acid
CID 77102177
2-(3-bromo-2-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62829587
10-[2-(ethylamino)ethyl]acridin-9-one
CID 61387070
2-(3-bromo-2-methylindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 78901896
1-[[2-(3-bromo-2-methylindol-1-yl)acetyl]amino]-3-methylurea
CID 47383615
1-[4-(ethylamino)butyl]quinoxalin-2-one
CID 62562828
2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 47049412

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-methylindol-1-yl)-N-ethylbutan-1-amine?
The IUPAC name of 4-(3-bromo-2-methylindol-1-yl)-N-ethylbutan-1-amine (CID 62828884) is 4-(3-bromo-2-methylindol-1-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 4-(3-bromo-2-methylindol-1-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 4-(3-bromo-2-methylindol-1-yl)-N-ethylbutan-1-amine is CCNCCCCn1c(C)c(Br)c2ccccc21.
What is the InChIKey of 4-(3-bromo-2-methylindol-1-yl)-N-ethylbutan-1-amine?
The InChIKey is LZSZSBGJTKZEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-3-17-10-6-7-11-18-12(2)15(16)13-8-4-5-9-14(13)18/h4-5,8-9,17H,3,6-7,10-11H2,1-2H3.
What are the key properties of 4-(3-bromo-2-methylindol-1-yl)-N-ethylbutan-1-amine?
4-(3-bromo-2-methylindol-1-yl)-N-ethylbutan-1-amine has a molecular weight of 309.25 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-methylindol-1-yl)-N-ethylbutan-1-amine is sourced from PubChem (CID 62828884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).