[1-(3-bromophenyl)pyrrolidin-3-yl]methanamine

C11H15BrN2 — CID 24700770

IUPAC[1-(3-bromophenyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2cccc(Br)c2)C1
InChIInChI=1S/C11H15BrN2/c12-10-2-1-3-11(6-10)14-5-4-9(7-13)8-14/h1-3,6,9H,4-5,7-8,13H2
InChIKeyBUABTOHPKFPMPS-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.23
Rot. Bonds2

About [1-(3-bromophenyl)pyrrolidin-3-yl]methanamine

[1-(3-bromophenyl)pyrrolidin-3-yl]methanamine (PubChem CID 24700770) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is [1-(3-bromophenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-bromophenyl)pyrrolidin-3-yl]methanamine
PubChem CID24700770
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name[1-(3-bromophenyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2cccc(Br)c2)C1
InChIInChI=1S/C11H15BrN2/c12-10-2-1-3-11(6-10)14-5-4-9(7-13)8-14/h1-3,6,9H,4-5,7-8,13H2
InChIKeyBUABTOHPKFPMPS-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(3-bromophenyl)pyrrolidin-3-yl]methanamine (CID 24700770) is [1-(3-bromophenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(3-bromophenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(3-bromophenyl)pyrrolidin-3-yl]methanamine is NCC1CCN(c2cccc(Br)c2)C1.
What is the InChIKey of [1-(3-bromophenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is BUABTOHPKFPMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-10-2-1-3-11(6-10)14-5-4-9(7-13)8-14/h1-3,6,9H,4-5,7-8,13H2.
What are the key properties of [1-(3-bromophenyl)pyrrolidin-3-yl]methanamine?
[1-(3-bromophenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 255.16 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 24700770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).