4-[[[3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline

C28H36N2O2 — CID 3735979

IUPAC4-[[[3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline
SMILESCOc1ccccc1C(CCNCc1ccc(N(C)C)cc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C28H36N2O2/c1-21(2)32-25-16-12-23(13-17-25)26(27-8-6-7-9-28(27)31-5)18-19-29-20-22-10-14-24(15-11-22)30(3)4/h6-17,21,26,29H,18-20H2,1-5H3
InChIKeyWYBNNZDNQBJYIZ-UHFFFAOYSA-N
MW432.61 g/mol
LogP5.86
Rot. Bonds11

About 4-[[[3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline

4-[[[3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline (PubChem CID 3735979) has the molecular formula C28H36N2O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is 4-[[[3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[[3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline
PubChem CID3735979
Molecular FormulaC28H36N2O2
Molecular Weight432.61 g/mol
Exact Mass432.28
IUPAC Name4-[[[3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline
SMILESCOc1ccccc1C(CCNCc1ccc(N(C)C)cc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C28H36N2O2/c1-21(2)32-25-16-12-23(13-17-25)26(27-8-6-7-9-28(27)31-5)18-19-29-20-22-10-14-24(15-11-22)30(3)4/h6-17,21,26,29H,18-20H2,1-5H3
InChIKeyWYBNNZDNQBJYIZ-UHFFFAOYSA-N
XLogP5.86
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[[3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline 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 4-[[[3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[[3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline (CID 3735979) is 4-[[[3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[[3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[[3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline is COc1ccccc1C(CCNCc1ccc(N(C)C)cc1)c1ccc(OC(C)C)cc1.
What is the InChIKey of 4-[[[3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline?
The InChIKey is WYBNNZDNQBJYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O2/c1-21(2)32-25-16-12-23(13-17-25)26(27-8-6-7-9-28(27)31-5)18-19-29-20-22-10-14-24(15-11-22)30(3)4/h6-17,21,26,29H,18-20H2,1-5H3.
What are the key properties of 4-[[[3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline?
4-[[[3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline has a molecular weight of 432.61 g/mol, XLogP of 5.86, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 3735979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).