1-(2-phenylethyl)pyrrolidin-2-imine;hydrobromide

C12H17BrN2 — CID 90654272

IUPAC1-(2-phenylethyl)pyrrolidin-2-imine;hydrobromide
SMILESBr.[H]/N=C1\CCCN1CCc1ccccc1
InChIInChI=1S/C12H16N2.BrH/c13-12-7-4-9-14(12)10-8-11-5-2-1-3-6-11;/h1-3,5-6,13H,4,7-10H2;1H/b13-12+;
InChIKeyNNHPFAZVWXAZCK-UEIGIMKUSA-N
MW269.19 g/mol
LogP2.88
Rot. Bonds3

About 1-(2-phenylethyl)pyrrolidin-2-imine;hydrobromide

1-(2-phenylethyl)pyrrolidin-2-imine;hydrobromide (PubChem CID 90654272) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 1-(2-phenylethyl)pyrrolidin-2-imine;hydrobromide.

Molecular Properties

Compound Name1-(2-phenylethyl)pyrrolidin-2-imine;hydrobromide
PubChem CID90654272
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name1-(2-phenylethyl)pyrrolidin-2-imine;hydrobromide
SMILESBr.[H]/N=C1\CCCN1CCc1ccccc1
InChIInChI=1S/C12H16N2.BrH/c13-12-7-4-9-14(12)10-8-11-5-2-1-3-6-11;/h1-3,5-6,13H,4,7-10H2;1H/b13-12+;
InChIKeyNNHPFAZVWXAZCK-UEIGIMKUSA-N
XLogP2.88
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)pyrrolidin-2-imine;hydrobromide?
The IUPAC name of 1-(2-phenylethyl)pyrrolidin-2-imine;hydrobromide (CID 90654272) is 1-(2-phenylethyl)pyrrolidin-2-imine;hydrobromide.
What is the SMILES notation for 1-(2-phenylethyl)pyrrolidin-2-imine;hydrobromide?
The canonical SMILES for 1-(2-phenylethyl)pyrrolidin-2-imine;hydrobromide is Br.[H]/N=C1\CCCN1CCc1ccccc1.
What is the InChIKey of 1-(2-phenylethyl)pyrrolidin-2-imine;hydrobromide?
The InChIKey is NNHPFAZVWXAZCK-UEIGIMKUSA-N. The full InChI is InChI=1S/C12H16N2.BrH/c13-12-7-4-9-14(12)10-8-11-5-2-1-3-6-11;/h1-3,5-6,13H,4,7-10H2;1H/b13-12+;.
What are the key properties of 1-(2-phenylethyl)pyrrolidin-2-imine;hydrobromide?
1-(2-phenylethyl)pyrrolidin-2-imine;hydrobromide has a molecular weight of 269.19 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)pyrrolidin-2-imine;hydrobromide is sourced from PubChem (CID 90654272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).