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

C26H32N2O2 — CID 3833477

IUPAC4-[[[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline
SMILESCOc1ccc(C(CCNCc2ccc(N(C)C)cc2)c2ccccc2OC)cc1
InChIInChI=1S/C26H32N2O2/c1-28(2)22-13-9-20(10-14-22)19-27-18-17-24(21-11-15-23(29-3)16-12-21)25-7-5-6-8-26(25)30-4/h5-16,24,27H,17-19H2,1-4H3
InChIKeyUISSSYMXNFAVAB-UHFFFAOYSA-N
MW404.55 g/mol
LogP5.08
Rot. Bonds10

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

4-[[[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline (PubChem CID 3833477) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 4-[[[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline
PubChem CID3833477
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name4-[[[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline
SMILESCOc1ccc(C(CCNCc2ccc(N(C)C)cc2)c2ccccc2OC)cc1
InChIInChI=1S/C26H32N2O2/c1-28(2)22-13-9-20(10-14-22)19-27-18-17-24(21-11-15-23(29-3)16-12-21)25-7-5-6-8-26(25)30-4/h5-16,24,27H,17-19H2,1-4H3
InChIKeyUISSSYMXNFAVAB-UHFFFAOYSA-N
XLogP5.08
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 55.08
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline (CID 3833477) is 4-[[[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline is COc1ccc(C(CCNCc2ccc(N(C)C)cc2)c2ccccc2OC)cc1.
What is the InChIKey of 4-[[[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline?
The InChIKey is UISSSYMXNFAVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-28(2)22-13-9-20(10-14-22)19-27-18-17-24(21-11-15-23(29-3)16-12-21)25-7-5-6-8-26(25)30-4/h5-16,24,27H,17-19H2,1-4H3.
What are the key properties of 4-[[[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline?
4-[[[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline has a molecular weight of 404.55 g/mol, XLogP of 5.08, 10 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-methoxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 3833477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).