3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline

C21H29NO3 — CID 54801785

IUPAC3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
SMILESCCOCCOc1cccc(NCCOc2ccccc2C(C)C)c1
InChIInChI=1S/C21H29NO3/c1-4-23-14-15-24-19-9-7-8-18(16-19)22-12-13-25-21-11-6-5-10-20(21)17(2)3/h5-11,16-17,22H,4,12-15H2,1-3H3
InChIKeySZPPFNAMEDURNL-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.72
Rot. Bonds11

About 3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline

3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline (PubChem CID 54801785) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
PubChem CID54801785
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
SMILESCCOCCOc1cccc(NCCOc2ccccc2C(C)C)c1
InChIInChI=1S/C21H29NO3/c1-4-23-14-15-24-19-9-7-8-18(16-19)22-12-13-25-21-11-6-5-10-20(21)17(2)3/h5-11,16-17,22H,4,12-15H2,1-3H3
InChIKeySZPPFNAMEDURNL-UHFFFAOYSA-N
XLogP4.72
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.72
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

3-(3-methylbutoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54800519
N-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline
CID 54802134
N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline
CID 54802101
N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54796175
N-butyl-3-(2-ethoxyethoxy)aniline
CID 54801731
4-(2-ethoxyethoxy)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline
CID 54801159
3-(2-ethoxyethoxy)-N-[[2-(3-methylbutoxy)phenyl]methyl]aniline
CID 54802121
3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline
CID 54802157
3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline
CID 54802089
2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54798096
N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800772
3-(2-ethoxyethoxy)-N-[[3-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802131

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline?
The IUPAC name of 3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline (CID 54801785) is 3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline.
What is the SMILES notation for 3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline?
The canonical SMILES for 3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline is CCOCCOc1cccc(NCCOc2ccccc2C(C)C)c1.
What is the InChIKey of 3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline?
The InChIKey is SZPPFNAMEDURNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-4-23-14-15-24-19-9-7-8-18(16-19)22-12-13-25-21-11-6-5-10-20(21)17(2)3/h5-11,16-17,22H,4,12-15H2,1-3H3.
What are the key properties of 3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline?
3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline has a molecular weight of 343.47 g/mol, XLogP of 4.72, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline is sourced from PubChem (CID 54801785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).