1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine

C14H20BrN — CID 83220677

IUPAC1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine
SMILESCCC1CCC(C)N1Cc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c1-3-14-9-4-11(2)16(14)10-12-5-7-13(15)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyRBOZEALPPUFDPO-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.21
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine

1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine (PubChem CID 83220677) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine
PubChem CID83220677
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine
SMILESCCC1CCC(C)N1Cc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c1-3-14-9-4-11(2)16(14)10-12-5-7-13(15)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyRBOZEALPPUFDPO-UHFFFAOYSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 83220620
N-[2-[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
CID 105348207
(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
CID 95356235
[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 83227678
5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline
CID 83227764
5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzoic acid
CID 83221179
1-(4-bromophenyl)-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-one
CID 83220400
[6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]methanamine
CID 83221720
(2R,5S)-1,2-dibenzyl-5-methylpyrrolidine
CID 101143886
4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106788307
3-chloro-2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenol
CID 83224793
[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]methanamine
CID 83227064

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine (CID 83220677) is 1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine is CCC1CCC(C)N1Cc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine?
The InChIKey is RBOZEALPPUFDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-3-14-9-4-11(2)16(14)10-12-5-7-13(15)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine?
1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine has a molecular weight of 282.22 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine is sourced from PubChem (CID 83220677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).