[4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine

C12H17BrN2 — CID 82625445

IUPAC[4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)C(c2ccccc2Br)C1
InChIInChI=1S/C12H17BrN2/c1-15-7-9(6-14)11(8-15)10-4-2-3-5-12(10)13/h2-5,9,11H,6-8,14H2,1H3
InChIKeyGLZYTHUCFNIJNV-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.05
Rot. Bonds2

About [4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine

[4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 82625445) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is [4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID82625445
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name[4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)C(c2ccccc2Br)C1
InChIInChI=1S/C12H17BrN2/c1-15-7-9(6-14)11(8-15)10-4-2-3-5-12(10)13/h2-5,9,11H,6-8,14H2,1H3
InChIKeyGLZYTHUCFNIJNV-UHFFFAOYSA-N
XLogP2.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 82625445) is [4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine is CN1CC(CN)C(c2ccccc2Br)C1.
What is the InChIKey of [4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is GLZYTHUCFNIJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-15-7-9(6-14)11(8-15)10-4-2-3-5-12(10)13/h2-5,9,11H,6-8,14H2,1H3.
What are the key properties of [4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine?
[4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 269.19 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 82625445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).