1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine

C18H20BrN — CID 135008853

IUPAC1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine
SMILESBrc1ccc(CC2CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H20BrN/c19-18-8-6-15(7-9-18)12-17-10-11-20(14-17)13-16-4-2-1-3-5-16/h1-9,17H,10-14H2
InChIKeyIIJQQDCHRAMHCU-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.51
Rot. Bonds4

About 1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine

1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine (PubChem CID 135008853) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine
PubChem CID135008853
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine
SMILESBrc1ccc(CC2CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H20BrN/c19-18-8-6-15(7-9-18)12-17-10-11-20(14-17)13-16-4-2-1-3-5-16/h1-9,17H,10-14H2
InChIKeyIIJQQDCHRAMHCU-UHFFFAOYSA-N
XLogP4.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 4-((4-bromophenyl)phenylmethylene)-1-methyl-, hydrochloride
CID 3076342
4-Bromo-N,N-dimethylbenzylamine
CID 235757
2-(4-Bromophenyl)-1-methylpyrrolidine
CID 284897
1-(4-Bromobenzyl)pyrrolidine
CID 12738004
2-(4-Bromophenyl)-7-methyl-7-azabicyclo[2.2.1]heptane
CID 44355470
4-Benzyl-1-(2-bromobenzyl)piperidine
CID 791158
(4-Bromobenzyl)[2-(diethylamino)ethyl]methylamine
CID 784059
1-[(4-Bromophenyl)-phenylmethyl]-4-ethylpiperazine
CID 118119342
(4-Bromo-phenyl)-pyrrolidin-1-yl-methanethione
CID 622907
1-(4-Bromobenzyl)azepane
CID 791417
4-Bromo-N,N-diisopropylbenzylamine
CID 598770
N-benzyl-1-(4-bromophenyl)methanamine
CID 3876431

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine?
The IUPAC name of 1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine (CID 135008853) is 1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine.
What is the SMILES notation for 1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine?
The canonical SMILES for 1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine is Brc1ccc(CC2CCN(Cc3ccccc3)C2)cc1.
What is the InChIKey of 1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine?
The InChIKey is IIJQQDCHRAMHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c19-18-8-6-15(7-9-18)12-17-10-11-20(14-17)13-16-4-2-1-3-5-16/h1-9,17H,10-14H2.
What are the key properties of 1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine?
1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine has a molecular weight of 330.27 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(4-bromophenyl)methyl]pyrrolidine is sourced from PubChem (CID 135008853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).