(3R)-1-benzyl-3-(bromomethyl)pyrrolidine

C12H16BrN — CID 96555493

IUPAC(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
SMILESBrC[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H16BrN/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2/t12-/m0/s1
InChIKeyWSYMERCNLIPXPC-LBPRGKRZSA-N
MW254.17 g/mol
LogP2.90
Rot. Bonds3

About (3R)-1-benzyl-3-(bromomethyl)pyrrolidine

(3R)-1-benzyl-3-(bromomethyl)pyrrolidine (PubChem CID 96555493) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is (3R)-1-benzyl-3-(bromomethyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
PubChem CID96555493
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
SMILESBrC[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H16BrN/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2/t12-/m0/s1
InChIKeyWSYMERCNLIPXPC-LBPRGKRZSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R)-1-benzyl-3-(bromomethyl)pyrrolidine 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

3-(bromomethyl)-1-[(4-ethylphenyl)methyl]pyrrolidine
CID 80689924
1-benzyl-3-ethylpyrrolidine
CID 12648208
3-(bromomethyl)-1-(3-phenylpropyl)pyrrolidine
CID 80691457
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
1-benzyl-3-propylpyrrolidine
CID 12648211
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
3-(1-benzylpyrrolidin-3-yl)propanenitrile
CID 83909920
3-(bromomethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine
CID 80691866
1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine
CID 10614560
5-(1-benzylpyrrolidin-3-yl)pentan-1-amine
CID 123137581
1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine
CID 71090508

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-(bromomethyl)pyrrolidine?
The IUPAC name of (3R)-1-benzyl-3-(bromomethyl)pyrrolidine (CID 96555493) is (3R)-1-benzyl-3-(bromomethyl)pyrrolidine.
What is the SMILES notation for (3R)-1-benzyl-3-(bromomethyl)pyrrolidine?
The canonical SMILES for (3R)-1-benzyl-3-(bromomethyl)pyrrolidine is BrC[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-3-(bromomethyl)pyrrolidine?
The InChIKey is WSYMERCNLIPXPC-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16BrN/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2/t12-/m0/s1.
What are the key properties of (3R)-1-benzyl-3-(bromomethyl)pyrrolidine?
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine has a molecular weight of 254.17 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-(bromomethyl)pyrrolidine is sourced from PubChem (CID 96555493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).