1-(3-bromo-4-ethylphenyl)pyrrolidine

C12H16BrN — CID 84708206

IUPAC1-(3-bromo-4-ethylphenyl)pyrrolidine
SMILESCCc1ccc(N2CCCC2)cc1Br
InChIInChI=1S/C12H16BrN/c1-2-10-5-6-11(9-12(10)13)14-7-3-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyNPPHCWWJBUCGIL-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.61
Rot. Bonds2

About 1-(3-bromo-4-ethylphenyl)pyrrolidine

1-(3-bromo-4-ethylphenyl)pyrrolidine (PubChem CID 84708206) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-(3-bromo-4-ethylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-bromo-4-ethylphenyl)pyrrolidine
PubChem CID84708206
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name1-(3-bromo-4-ethylphenyl)pyrrolidine
SMILESCCc1ccc(N2CCCC2)cc1Br
InChIInChI=1S/C12H16BrN/c1-2-10-5-6-11(9-12(10)13)14-7-3-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyNPPHCWWJBUCGIL-UHFFFAOYSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine
CID 90423876
[2-bromo-4-(1,1-dioxo-1,4-thiazepan-4-yl)phenyl]methanamine
CID 114083356
1-(3-bromo-4-methylsulfonylphenyl)piperidine
CID 169336524
4-(azepan-1-yl)-2-ethylbenzonitrile
CID 84692086
1-[3-bromo-4-(ethylaminomethyl)phenyl]piperidin-4-ol
CID 114060688
4-[3-bromo-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 163692702
1-[4-(aminomethyl)-3-bromophenyl]piperidin-4-ol
CID 107274657
1-(2-ethyl-5-methylphenyl)pyrrolidine
CID 89060262
[4-(azepan-1-yl)-2-methylphenyl]methanol
CID 62136548
2-ethyl-5-(4-methylpiperazin-1-yl)aniline
CID 39244247
4-(4-ethyl-3-methylphenyl)morpholine
CID 71052308
1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine
CID 70652464

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethylphenyl)pyrrolidine?
The IUPAC name of 1-(3-bromo-4-ethylphenyl)pyrrolidine (CID 84708206) is 1-(3-bromo-4-ethylphenyl)pyrrolidine.
What is the SMILES notation for 1-(3-bromo-4-ethylphenyl)pyrrolidine?
The canonical SMILES for 1-(3-bromo-4-ethylphenyl)pyrrolidine is CCc1ccc(N2CCCC2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-ethylphenyl)pyrrolidine?
The InChIKey is NPPHCWWJBUCGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-2-10-5-6-11(9-12(10)13)14-7-3-4-8-14/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-(3-bromo-4-ethylphenyl)pyrrolidine?
1-(3-bromo-4-ethylphenyl)pyrrolidine has a molecular weight of 254.17 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-ethylphenyl)pyrrolidine is sourced from PubChem (CID 84708206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).