4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline

C14H23NO4 — CID 104560013

IUPAC4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline
SMILESCOCCOCCOc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C14H23NO4/c1-11(2)19-14-10-12(4-5-13(14)15)18-9-8-17-7-6-16-3/h4-5,10-11H,6-9,15H2,1-3H3
InChIKeySWKSQFOJDVNPDM-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.10
Rot. Bonds9

About 4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline

4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline (PubChem CID 104560013) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline
PubChem CID104560013
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline
SMILESCOCCOCCOc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C14H23NO4/c1-11(2)19-14-10-12(4-5-13(14)15)18-9-8-17-7-6-16-3/h4-5,10-11H,6-9,15H2,1-3H3
InChIKeySWKSQFOJDVNPDM-UHFFFAOYSA-N
XLogP2.10
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline
CID 113426736
4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline
CID 83002701
4-(2-methoxyethylsulfanyl)-2-propan-2-yloxyaniline
CID 83002282
4-(methoxymethyl)-2-propan-2-yloxyaniline
CID 154827606
4-(3-methoxypropoxy)-2-propoxyaniline
CID 63676543
(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine
CID 107718394
4-[(2-bromophenyl)methoxy]-2-propan-2-yloxyaniline
CID 83002347
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline
CID 83002627
4-(2-ethylhexoxy)-2-propan-2-yloxyaniline
CID 83002625
4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline
CID 83001907
2-amino-5-[2-(3-methoxypropoxy)ethoxy]benzonitrile
CID 103176798

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline (CID 104560013) is 4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline is COCCOCCOc1ccc(N)c(OC(C)C)c1.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline?
The InChIKey is SWKSQFOJDVNPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-11(2)19-14-10-12(4-5-13(14)15)18-9-8-17-7-6-16-3/h4-5,10-11H,6-9,15H2,1-3H3.
What are the key properties of 4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline?
4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline has a molecular weight of 269.34 g/mol, XLogP of 2.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline is sourced from PubChem (CID 104560013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).