N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline

C22H31NO3 — CID 54802101

IUPACN-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline
SMILESCCOCCOc1cccc(NCCOc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C22H31NO3/c1-5-24-15-16-25-19-10-8-9-18(17-19)23-13-14-26-21-12-7-6-11-20(21)22(2,3)4/h6-12,17,23H,5,13-16H2,1-4H3
InChIKeyBSPVHIQXPMGSQA-UHFFFAOYSA-N
MW357.49 g/mol
LogP4.89
Rot. Bonds10

About N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline

N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline (PubChem CID 54802101) has the molecular formula C22H31NO3 and a molecular weight of 357.49 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline
PubChem CID54802101
Molecular FormulaC22H31NO3
Molecular Weight357.49 g/mol
Exact Mass357.23
IUPAC NameN-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline
SMILESCCOCCOc1cccc(NCCOc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C22H31NO3/c1-5-24-15-16-25-19-10-8-9-18(17-19)23-13-14-26-21-12-7-6-11-20(21)22(2,3)4/h6-12,17,23H,5,13-16H2,1-4H3
InChIKeyBSPVHIQXPMGSQA-UHFFFAOYSA-N
XLogP4.89
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800772
N-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline
CID 54802134
3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54801785
N-[2-(2,4-ditert-butylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800763
N-[2-(2-tert-butylphenoxy)ethyl]-4-(2-phenoxyethoxy)aniline
CID 54799862
N-butyl-3-(2-ethoxyethoxy)aniline
CID 54801731
N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 62571642
3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline
CID 54802157
3-(2-ethoxyethoxy)-N-[[3-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802131
N-[4-(2,4-dichlorophenoxy)butyl]-3-(2-ethoxyethoxy)aniline
CID 54801755
3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54802163
3-butoxy-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54800729

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline?
The IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline (CID 54802101) is N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline is CCOCCOc1cccc(NCCOc2ccccc2C(C)(C)C)c1.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline?
The InChIKey is BSPVHIQXPMGSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO3/c1-5-24-15-16-25-19-10-8-9-18(17-19)23-13-14-26-21-12-7-6-11-20(21)22(2,3)4/h6-12,17,23H,5,13-16H2,1-4H3.
What are the key properties of N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline?
N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline has a molecular weight of 357.49 g/mol, XLogP of 4.89, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline is sourced from PubChem (CID 54802101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).