[5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine

C13H19BrN2 — CID 117455094

IUPAC[5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCc1ccc(Br)c(C2CC(CN)CN2C)c1
InChIInChI=1S/C13H19BrN2/c1-9-3-4-12(14)11(5-9)13-6-10(7-15)8-16(13)2/h3-5,10,13H,6-8,15H2,1-2H3
InChIKeyQLXHOTRBVCFZPL-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.71
Rot. Bonds2

About [5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117455094) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is [5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117455094
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name[5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCc1ccc(Br)c(C2CC(CN)CN2C)c1
InChIInChI=1S/C13H19BrN2/c1-9-3-4-12(14)11(5-9)13-6-10(7-15)8-16(13)2/h3-5,10,13H,6-8,15H2,1-2H3
InChIKeyQLXHOTRBVCFZPL-UHFFFAOYSA-N
XLogP2.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117349921
[5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117455095
[5-(5-bromo-2,4-difluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117490471
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-bromo-3-fluorophenol
CID 117488127
6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-bromo-3,4-dimethylphenol
CID 117498602
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-tert-butyl-4-methylphenol
CID 117443150
[5-(2-bromo-3-fluoro-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117485269
[1-methyl-5-(2-methyl-4-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
CID 117379930
[1-methyl-5-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-yl]methanamine
CID 117368988
4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3,6-trimethylphenol
CID 117117153
4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-bromo-3,5-dimethylphenol
CID 117498594
4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorophenol
CID 117322190

Frequently Asked Questions

What is the IUPAC name of [5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117455094) is [5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine is Cc1ccc(Br)c(C2CC(CN)CN2C)c1.
What is the InChIKey of [5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is QLXHOTRBVCFZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-9-3-4-12(14)11(5-9)13-6-10(7-15)8-16(13)2/h3-5,10,13H,6-8,15H2,1-2H3.
What are the key properties of [5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 283.21 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117455094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).