N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline

C23H33NO2 — CID 54799086

IUPACN-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline
SMILESCCC(C)(C)c1ccc(OCCNc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C23H33NO2/c1-6-23(4,5)19-7-11-21(12-8-19)25-16-15-24-20-9-13-22(14-10-20)26-17-18(2)3/h7-14,18,24H,6,15-17H2,1-5H3
InChIKeyLKLHTSWASZDYKQ-UHFFFAOYSA-N
MW355.52 g/mol
LogP5.90
Rot. Bonds10

About N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline

N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline (PubChem CID 54799086) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline.

Molecular Properties

Compound NameN-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline
PubChem CID54799086
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC NameN-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline
SMILESCCC(C)(C)c1ccc(OCCNc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C23H33NO2/c1-6-23(4,5)19-7-11-21(12-8-19)25-16-15-24-20-9-13-22(14-10-20)26-17-18(2)3/h7-14,18,24H,6,15-17H2,1-5H3
InChIKeyLKLHTSWASZDYKQ-UHFFFAOYSA-N
XLogP5.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.52
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline with MolForge

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

Launch Full Analysis

Related Compounds

N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54808031
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-3-propan-2-yloxyaniline
CID 54802909
4-butoxy-N-[2-(4-tert-butylphenoxy)ethyl]aniline
CID 54799238
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
N-[2-(2,6-dimethylphenoxy)ethyl]-4-(2-methylpropoxy)aniline
CID 54799152
5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine
CID 63498583
3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylpropan-1-amine
CID 29015611
N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 62595361
N-[2-(2-butan-2-ylphenoxy)ethyl]-4-(2-methylpropoxy)aniline
CID 54799143
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-2-propan-2-yloxyaniline
CID 54802429
2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 95445371
4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
CID 63476133

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline?
The IUPAC name of N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline (CID 54799086) is N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline.
What is the SMILES notation for N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline?
The canonical SMILES for N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline is CCC(C)(C)c1ccc(OCCNc2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline?
The InChIKey is LKLHTSWASZDYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2/c1-6-23(4,5)19-7-11-21(12-8-19)25-16-15-24-20-9-13-22(14-10-20)26-17-18(2)3/h7-14,18,24H,6,15-17H2,1-5H3.
What are the key properties of N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline?
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline has a molecular weight of 355.52 g/mol, XLogP of 5.90, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline is sourced from PubChem (CID 54799086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).