N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-2-propan-2-yloxyaniline

C22H31NO2 — CID 54802429

IUPACN-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-2-propan-2-yloxyaniline
SMILESCCC(C)(C)c1ccc(OCCNc2ccccc2OC(C)C)cc1
InChIInChI=1S/C22H31NO2/c1-6-22(4,5)18-11-13-19(14-12-18)24-16-15-23-20-9-7-8-10-21(20)25-17(2)3/h7-14,17,23H,6,15-16H2,1-5H3
InChIKeyYYPPTAVPDOVSJU-UHFFFAOYSA-N
MW341.50 g/mol
LogP5.65
Rot. Bonds9

About N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-2-propan-2-yloxyaniline

N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-2-propan-2-yloxyaniline (PubChem CID 54802429) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-2-propan-2-yloxyaniline
PubChem CID54802429
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC NameN-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-2-propan-2-yloxyaniline
SMILESCCC(C)(C)c1ccc(OCCNc2ccccc2OC(C)C)cc1
InChIInChI=1S/C22H31NO2/c1-6-22(4,5)18-11-13-19(14-12-18)24-16-15-23-20-9-7-8-10-21(20)25-17(2)3/h7-14,17,23H,6,15-16H2,1-5H3
InChIKeyYYPPTAVPDOVSJU-UHFFFAOYSA-N
XLogP5.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-2-propan-2-yloxyaniline 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-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-3-propan-2-yloxyaniline
CID 54802909
N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline
CID 54802475
N-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808028
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline
CID 54799086
N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline
CID 54802500
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-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline
CID 63488256
N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808384
4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
CID 63476133
N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805438
N-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17341028

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-2-propan-2-yloxyaniline?
The IUPAC name of N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-2-propan-2-yloxyaniline (CID 54802429) is N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-2-propan-2-yloxyaniline?
The canonical SMILES for N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-2-propan-2-yloxyaniline is CCC(C)(C)c1ccc(OCCNc2ccccc2OC(C)C)cc1.
What is the InChIKey of N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-2-propan-2-yloxyaniline?
The InChIKey is YYPPTAVPDOVSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-6-22(4,5)18-11-13-19(14-12-18)24-16-15-23-20-9-7-8-10-21(20)25-17(2)3/h7-14,17,23H,6,15-16H2,1-5H3.
What are the key properties of N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-2-propan-2-yloxyaniline?
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-2-propan-2-yloxyaniline has a molecular weight of 341.50 g/mol, XLogP of 5.65, 9 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]-2-propan-2-yloxyaniline is sourced from PubChem (CID 54802429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).