[3-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine

C14H21BrN2 — CID 83227316

IUPAC[3-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine
SMILESCCC1CCC(C)N1c1ccc(CN)cc1Br
InChIInChI=1S/C14H21BrN2/c1-3-12-6-4-10(2)17(12)14-7-5-11(9-16)8-13(14)15/h5,7-8,10,12H,3-4,6,9,16H2,1-2H3
InChIKeyASDMXPLYYNCLDE-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.68
Rot. Bonds3

About [3-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine

[3-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine (PubChem CID 83227316) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is [3-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine
PubChem CID83227316
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name[3-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine
SMILESCCC1CCC(C)N1c1ccc(CN)cc1Br
InChIInChI=1S/C14H21BrN2/c1-3-12-6-4-10(2)17(12)14-7-5-11(9-16)8-13(14)15/h5,7-8,10,12H,3-4,6,9,16H2,1-2H3
InChIKeyASDMXPLYYNCLDE-UHFFFAOYSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(bromomethyl)-2-methylphenyl]-2-ethyl-5-methylpyrrolidine
CID 107084955
1-[4-(bromomethyl)-2-chlorophenyl]-2-ethyl-5-methylpyrrolidine
CID 107084954
[2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine
CID 107926317
[3-bromo-4-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688915
4-bromo-2-(2-ethyl-5-methylpyrrolidin-1-yl)aniline
CID 83218584
1-[4-(chloromethyl)-2-methylphenyl]-2-ethyl-5-methylpyrrolidine
CID 83220397
1-[5-bromo-2-(bromomethyl)phenyl]-2-ethyl-5-methylpyrrolidine
CID 107084963
[4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine
CID 83227050
[3-bromo-4-(2-methylazepan-1-yl)phenyl]methanamine
CID 82793538
[2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluorophenyl]methanamine
CID 83227227
2-(2-ethyl-5-methylpyrrolidin-1-yl)aniline
CID 83218413
[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]methanamine
CID 83053330

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine?
The IUPAC name of [3-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine (CID 83227316) is [3-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine?
The canonical SMILES for [3-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine is CCC1CCC(C)N1c1ccc(CN)cc1Br.
What is the InChIKey of [3-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine?
The InChIKey is ASDMXPLYYNCLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-3-12-6-4-10(2)17(12)14-7-5-11(9-16)8-13(14)15/h5,7-8,10,12H,3-4,6,9,16H2,1-2H3.
What are the key properties of [3-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine?
[3-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine has a molecular weight of 297.24 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 83227316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).