2-(bromomethyl)-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrrolidine

C15H22BrN — CID 102785404

IUPAC2-(bromomethyl)-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrrolidine
SMILESCc1ccc(CN2CCC(C)C2CBr)cc1C
InChIInChI=1S/C15H22BrN/c1-11-4-5-14(8-13(11)3)10-17-7-6-12(2)15(17)9-16/h4-5,8,12,15H,6-7,9-10H2,1-3H3
InChIKeyNFMWEPXFGIBAKP-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.91
Rot. Bonds3

About 2-(bromomethyl)-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrrolidine

2-(bromomethyl)-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrrolidine (PubChem CID 102785404) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-(bromomethyl)-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrrolidine
PubChem CID102785404
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name2-(bromomethyl)-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrrolidine
SMILESCc1ccc(CN2CCC(C)C2CBr)cc1C
InChIInChI=1S/C15H22BrN/c1-11-4-5-14(8-13(11)3)10-17-7-6-12(2)15(17)9-16/h4-5,8,12,15H,6-7,9-10H2,1-3H3
InChIKeyNFMWEPXFGIBAKP-UHFFFAOYSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-1-[(3,4-dimethylphenyl)methyl]-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)-3-methylpyrrolidine
CID 102785410
2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine
CID 102785459
2-(2-bromoethyl)-1-[(3,4-dimethylphenyl)methyl]piperidine
CID 80670822
1-[(3-bromophenyl)methyl]-2-(chloromethyl)-3-methylpyrrolidine
CID 102784977
[3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 102788811
[1-[(3-amino-4-bromophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777799
[1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788541
[1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777626
1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
CID 176955142
1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041448
2-(bromomethyl)-3-methyl-1-(4-phenylbutyl)pyrrolidine
CID 102785255

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrrolidine (CID 102785404) is 2-(bromomethyl)-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrrolidine is Cc1ccc(CN2CCC(C)C2CBr)cc1C.
What is the InChIKey of 2-(bromomethyl)-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrrolidine?
The InChIKey is NFMWEPXFGIBAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-11-4-5-14(8-13(11)3)10-17-7-6-12(2)15(17)9-16/h4-5,8,12,15H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(bromomethyl)-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrrolidine?
2-(bromomethyl)-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrrolidine has a molecular weight of 296.25 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrrolidine is sourced from PubChem (CID 102785404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).