2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpyrrolidine

C16H22BrN — CID 102785410

IUPAC2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpyrrolidine
SMILESCC1CCN(Cc2ccc3c(c2)CCC3)C1CBr
InChIInChI=1S/C16H22BrN/c1-12-7-8-18(16(12)10-17)11-13-5-6-14-3-2-4-15(14)9-13/h5-6,9,12,16H,2-4,7-8,10-11H2,1H3
InChIKeyPLGHLVQZDSOWAO-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.78
Rot. Bonds3

About 2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpyrrolidine

2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpyrrolidine (PubChem CID 102785410) has the molecular formula C16H22BrN and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpyrrolidine
PubChem CID102785410
Molecular FormulaC16H22BrN
Molecular Weight308.26 g/mol
Exact Mass307.09
IUPAC Name2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpyrrolidine
SMILESCC1CCN(Cc2ccc3c(c2)CCC3)C1CBr
InChIInChI=1S/C16H22BrN/c1-12-7-8-18(16(12)10-17)11-13-5-6-14-3-2-4-15(14)9-13/h5-6,9,12,16H,2-4,7-8,10-11H2,1H3
InChIKeyPLGHLVQZDSOWAO-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpyrrolidine 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-(bromomethyl)-1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine
CID 102785540
2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine
CID 80674675
[1-[(3-amino-4-bromophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777799
2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine
CID 102785459
1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperazine;hydrochloride
CID 119916469
3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine
CID 80676340
(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol
CID 107226173
[1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788541
(2R,3R)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 100660405
2-cyclopropyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperazine
CID 64833751
[1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine
CID 80506903
[3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 102788811

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpyrrolidine (CID 102785410) is 2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpyrrolidine is CC1CCN(Cc2ccc3c(c2)CCC3)C1CBr.
What is the InChIKey of 2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpyrrolidine?
The InChIKey is PLGHLVQZDSOWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN/c1-12-7-8-18(16(12)10-17)11-13-5-6-14-3-2-4-15(14)9-13/h5-6,9,12,16H,2-4,7-8,10-11H2,1H3.
What are the key properties of 2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpyrrolidine?
2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpyrrolidine has a molecular weight of 308.26 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpyrrolidine is sourced from PubChem (CID 102785410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).