3-(3-bromophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine

C25H35BrN2O2 — CID 24947575

IUPAC3-(3-bromophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine
SMILESCN(C)CCC(Oc1cccc(Br)c1)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C25H35BrN2O2/c1-27(2)18-14-25(30-24-9-6-8-22(26)20-24)21-10-12-23(13-11-21)29-19-7-17-28-15-4-3-5-16-28/h6,8-13,20,25H,3-5,7,14-19H2,1-2H3
InChIKeyNQHRYUNHBWFEMY-UHFFFAOYSA-N
MW475.47 g/mol
LogP5.78
Rot. Bonds11

About 3-(3-bromophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine

3-(3-bromophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine (PubChem CID 24947575) has the molecular formula C25H35BrN2O2 and a molecular weight of 475.47 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine
PubChem CID24947575
Molecular FormulaC25H35BrN2O2
Molecular Weight475.47 g/mol
Exact Mass474.19
IUPAC Name3-(3-bromophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine
SMILESCN(C)CCC(Oc1cccc(Br)c1)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C25H35BrN2O2/c1-27(2)18-14-25(30-24-9-6-8-22(26)20-24)21-10-12-23(13-11-21)29-19-7-17-28-15-4-3-5-16-28/h6,8-13,20,25H,3-5,7,14-19H2,1-2H3
InChIKeyNQHRYUNHBWFEMY-UHFFFAOYSA-N
XLogP5.78
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.47
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-bromophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine 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 3-(3-bromophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine?
The IUPAC name of 3-(3-bromophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine (CID 24947575) is 3-(3-bromophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-(3-bromophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-(3-bromophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine is CN(C)CCC(Oc1cccc(Br)c1)c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 3-(3-bromophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine?
The InChIKey is NQHRYUNHBWFEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35BrN2O2/c1-27(2)18-14-25(30-24-9-6-8-22(26)20-24)21-10-12-23(13-11-21)29-19-7-17-28-15-4-3-5-16-28/h6,8-13,20,25H,3-5,7,14-19H2,1-2H3.
What are the key properties of 3-(3-bromophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine?
3-(3-bromophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine has a molecular weight of 475.47 g/mol, XLogP of 5.78, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine is sourced from PubChem (CID 24947575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).