4-(3-ethoxypropoxy)-3-methoxyaniline

C12H19NO3 — CID 65176717

IUPAC4-(3-ethoxypropoxy)-3-methoxyaniline
SMILESCCOCCCOc1ccc(N)cc1OC
InChIInChI=1S/C12H19NO3/c1-3-15-7-4-8-16-11-6-5-10(13)9-12(11)14-2/h5-6,9H,3-4,7-8,13H2,1-2H3
InChIKeyIEPRWXYFZSJSFD-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.08
Rot. Bonds7

About 4-(3-ethoxypropoxy)-3-methoxyaniline

4-(3-ethoxypropoxy)-3-methoxyaniline (PubChem CID 65176717) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(3-ethoxypropoxy)-3-methoxyaniline.

Molecular Properties

Compound Name4-(3-ethoxypropoxy)-3-methoxyaniline
PubChem CID65176717
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-(3-ethoxypropoxy)-3-methoxyaniline
SMILESCCOCCCOc1ccc(N)cc1OC
InChIInChI=1S/C12H19NO3/c1-3-15-7-4-8-16-11-6-5-10(13)9-12(11)14-2/h5-6,9H,3-4,7-8,13H2,1-2H3
InChIKeyIEPRWXYFZSJSFD-UHFFFAOYSA-N
XLogP2.08
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-(4-amino-2-methoxyphenoxy)propan-1-ol
CID 21422985
4-[3-(3,5-dimethylphenoxy)propoxy]-3-methoxyaniline
CID 82097195
4-(3-ethoxypropoxy)-3-methoxybenzoic acid
CID 65175954
4-(3-ethoxypropoxy)-3-methoxybenzonitrile
CID 65175346
4-methoxy-3-(3-phenoxypropoxy)aniline
CID 62936938
3-methoxy-4-(3-phenylsulfanylpropoxy)aniline
CID 3026891
4-(5-cyclohexylpentoxy)-3-methoxyaniline
CID 27225
4-(5,5-diethoxy-5-phenylpentoxy)-3-methoxyaniline
CID 154731977
3-methoxy-4-[(E)-5-(4-methoxyphenyl)pent-4-enoxy]aniline
CID 6366753
4-(3-ethoxypropoxy)aniline
CID 43365878
3-methoxy-4-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]aniline
CID 88930458
3-methoxy-4-(2-pyrrolidin-2-ylethoxy)aniline
CID 67304202

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypropoxy)-3-methoxyaniline?
The IUPAC name of 4-(3-ethoxypropoxy)-3-methoxyaniline (CID 65176717) is 4-(3-ethoxypropoxy)-3-methoxyaniline.
What is the SMILES notation for 4-(3-ethoxypropoxy)-3-methoxyaniline?
The canonical SMILES for 4-(3-ethoxypropoxy)-3-methoxyaniline is CCOCCCOc1ccc(N)cc1OC.
What is the InChIKey of 4-(3-ethoxypropoxy)-3-methoxyaniline?
The InChIKey is IEPRWXYFZSJSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-15-7-4-8-16-11-6-5-10(13)9-12(11)14-2/h5-6,9H,3-4,7-8,13H2,1-2H3.
What are the key properties of 4-(3-ethoxypropoxy)-3-methoxyaniline?
4-(3-ethoxypropoxy)-3-methoxyaniline has a molecular weight of 225.29 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropoxy)-3-methoxyaniline is sourced from PubChem (CID 65176717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).