N'-(2-methoxy-2-phenylpropyl)pyrrolidine-1-carboximidamide;hydrobromide

C15H24BrN3O — CID 155951721

IUPACN'-(2-methoxy-2-phenylpropyl)pyrrolidine-1-carboximidamide;hydrobromide
SMILESBr.COC(C)(C/N=C(\N)N1CCCC1)c1ccccc1
InChIInChI=1S/C15H23N3O.BrH/c1-15(19-2,13-8-4-3-5-9-13)12-17-14(16)18-10-6-7-11-18;/h3-5,8-9H,6-7,10-12H2,1-2H3,(H2,16,17);1H
InChIKeyFUJCIPUERCRVFI-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.54
Rot. Bonds4

About N'-(2-methoxy-2-phenylpropyl)pyrrolidine-1-carboximidamide;hydrobromide

N'-(2-methoxy-2-phenylpropyl)pyrrolidine-1-carboximidamide;hydrobromide (PubChem CID 155951721) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is N'-(2-methoxy-2-phenylpropyl)pyrrolidine-1-carboximidamide;hydrobromide.

Molecular Properties

Compound NameN'-(2-methoxy-2-phenylpropyl)pyrrolidine-1-carboximidamide;hydrobromide
PubChem CID155951721
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC NameN'-(2-methoxy-2-phenylpropyl)pyrrolidine-1-carboximidamide;hydrobromide
SMILESBr.COC(C)(C/N=C(\N)N1CCCC1)c1ccccc1
InChIInChI=1S/C15H23N3O.BrH/c1-15(19-2,13-8-4-3-5-9-13)12-17-14(16)18-10-6-7-11-18;/h3-5,8-9H,6-7,10-12H2,1-2H3,(H2,16,17);1H
InChIKeyFUJCIPUERCRVFI-UHFFFAOYSA-N
XLogP2.54
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(2-methoxy-2-phenylpropyl)pyrrolidine-1-carboximidamide;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-2-phenylpropyl)pyrrolidine-1-carboximidamide;hydrobromide?
The IUPAC name of N'-(2-methoxy-2-phenylpropyl)pyrrolidine-1-carboximidamide;hydrobromide (CID 155951721) is N'-(2-methoxy-2-phenylpropyl)pyrrolidine-1-carboximidamide;hydrobromide.
What is the SMILES notation for N'-(2-methoxy-2-phenylpropyl)pyrrolidine-1-carboximidamide;hydrobromide?
The canonical SMILES for N'-(2-methoxy-2-phenylpropyl)pyrrolidine-1-carboximidamide;hydrobromide is Br.COC(C)(C/N=C(\N)N1CCCC1)c1ccccc1.
What is the InChIKey of N'-(2-methoxy-2-phenylpropyl)pyrrolidine-1-carboximidamide;hydrobromide?
The InChIKey is FUJCIPUERCRVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.BrH/c1-15(19-2,13-8-4-3-5-9-13)12-17-14(16)18-10-6-7-11-18;/h3-5,8-9H,6-7,10-12H2,1-2H3,(H2,16,17);1H.
What are the key properties of N'-(2-methoxy-2-phenylpropyl)pyrrolidine-1-carboximidamide;hydrobromide?
N'-(2-methoxy-2-phenylpropyl)pyrrolidine-1-carboximidamide;hydrobromide has a molecular weight of 342.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-2-phenylpropyl)pyrrolidine-1-carboximidamide;hydrobromide is sourced from PubChem (CID 155951721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).