1-(2-bromo-1-methylindol-3-yl)-N-tert-butylmethanimine

C14H17BrN2 — CID 11173871

IUPAC1-(2-bromo-1-methylindol-3-yl)-N-tert-butylmethanimine
SMILESCn1c(Br)c(/C=N/C(C)(C)C)c2ccccc21
InChIInChI=1S/C14H17BrN2/c1-14(2,3)16-9-11-10-7-5-6-8-12(10)17(4)13(11)15/h5-9H,1-4H3/b16-9+
InChIKeyLXPJLTJXGLUBAT-CXUHLZMHSA-N
MW293.21 g/mol
LogP4.16
Rot. Bonds1

About 1-(2-bromo-1-methylindol-3-yl)-N-tert-butylmethanimine

1-(2-bromo-1-methylindol-3-yl)-N-tert-butylmethanimine (PubChem CID 11173871) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 1-(2-bromo-1-methylindol-3-yl)-N-tert-butylmethanimine.

Molecular Properties

Compound Name1-(2-bromo-1-methylindol-3-yl)-N-tert-butylmethanimine
PubChem CID11173871
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name1-(2-bromo-1-methylindol-3-yl)-N-tert-butylmethanimine
SMILESCn1c(Br)c(/C=N/C(C)(C)C)c2ccccc21
InChIInChI=1S/C14H17BrN2/c1-14(2,3)16-9-11-10-7-5-6-8-12(10)17(4)13(11)15/h5-9H,1-4H3/b16-9+
InChIKeyLXPJLTJXGLUBAT-CXUHLZMHSA-N
XLogP4.16
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(2-bromo-1-methylindol-3-yl)-N-tert-butylmethanimine 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

2-bromo-1-methylindole-3-carboxylic acid
CID 10800903
ethane;bis(9-methylcarbazole)
CID 159710949
2-bromo-N-tert-butyl-N,1-dimethylindole-3-carboxamide
CID 101108562
6-[2-(tert-butyliminomethyl)-1-methylindol-3-yl]hex-5-ynenitrile
CID 135086952
ethane;9-methylcarbazole;triphenylene
CID 142356751
2-fluoro-1-methylindole-3-carbaldehyde
CID 141053587
1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol
CID 136935292
ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole
CID 144820845
2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine
CID 22314271
N-[[1-methyl-2-(4-methylpiperazin-1-yl)indol-3-yl]methylidene]hydroxylamine
CID 5094036
2-deuteriocarbonyl-1-methylindole-3-carbaldehyde
CID 12584870
2-azido-1-methylindole-3-carbaldehyde
CID 14245995

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1-methylindol-3-yl)-N-tert-butylmethanimine?
The IUPAC name of 1-(2-bromo-1-methylindol-3-yl)-N-tert-butylmethanimine (CID 11173871) is 1-(2-bromo-1-methylindol-3-yl)-N-tert-butylmethanimine.
What is the SMILES notation for 1-(2-bromo-1-methylindol-3-yl)-N-tert-butylmethanimine?
The canonical SMILES for 1-(2-bromo-1-methylindol-3-yl)-N-tert-butylmethanimine is Cn1c(Br)c(/C=N/C(C)(C)C)c2ccccc21.
What is the InChIKey of 1-(2-bromo-1-methylindol-3-yl)-N-tert-butylmethanimine?
The InChIKey is LXPJLTJXGLUBAT-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-14(2,3)16-9-11-10-7-5-6-8-12(10)17(4)13(11)15/h5-9H,1-4H3/b16-9+.
What are the key properties of 1-(2-bromo-1-methylindol-3-yl)-N-tert-butylmethanimine?
1-(2-bromo-1-methylindol-3-yl)-N-tert-butylmethanimine has a molecular weight of 293.21 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1-methylindol-3-yl)-N-tert-butylmethanimine is sourced from PubChem (CID 11173871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).