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

C25H34Cl2N2O2 — CID 24947381

IUPAC3-(3,4-dichlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine
SMILESCN(C)CCC(Oc1ccc(Cl)c(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C25H34Cl2N2O2/c1-28(2)17-13-25(31-22-11-12-23(26)24(27)19-22)20-7-9-21(10-8-20)30-18-6-16-29-14-4-3-5-15-29/h7-12,19,25H,3-6,13-18H2,1-2H3
InChIKeyZTNPNIPEXVPGCQ-UHFFFAOYSA-N
MW465.47 g/mol
LogP6.32
Rot. Bonds11

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

3-(3,4-dichlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine (PubChem CID 24947381) has the molecular formula C25H34Cl2N2O2 and a molecular weight of 465.47 g/mol. Its IUPAC name is 3-(3,4-dichlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine
PubChem CID24947381
Molecular FormulaC25H34Cl2N2O2
Molecular Weight465.47 g/mol
Exact Mass464.20
IUPAC Name3-(3,4-dichlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine
SMILESCN(C)CCC(Oc1ccc(Cl)c(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C25H34Cl2N2O2/c1-28(2)17-13-25(31-22-11-12-23(26)24(27)19-22)20-7-9-21(10-8-20)30-18-6-16-29-14-4-3-5-15-29/h7-12,19,25H,3-6,13-18H2,1-2H3
InChIKeyZTNPNIPEXVPGCQ-UHFFFAOYSA-N
XLogP6.32
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.47
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3,4-dichlorophenoxy)-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-(3,4-dichlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine?
The IUPAC name of 3-(3,4-dichlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine (CID 24947381) is 3-(3,4-dichlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine is CN(C)CCC(Oc1ccc(Cl)c(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 3-(3,4-dichlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine?
The InChIKey is ZTNPNIPEXVPGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34Cl2N2O2/c1-28(2)17-13-25(31-22-11-12-23(26)24(27)19-22)20-7-9-21(10-8-20)30-18-6-16-29-14-4-3-5-15-29/h7-12,19,25H,3-6,13-18H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine?
3-(3,4-dichlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine has a molecular weight of 465.47 g/mol, XLogP of 6.32, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine is sourced from PubChem (CID 24947381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).