4-decoxy-3-methoxyaniline

C17H29NO2 — CID 27217

IUPAC4-decoxy-3-methoxyaniline
SMILESCCCCCCCCCCOc1ccc(N)cc1OC
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-7-8-9-10-13-20-16-12-11-15(18)14-17(16)19-2/h11-12,14H,3-10,13,18H2,1-2H3
InChIKeySRXKJCBJURRJSR-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.80
Rot. Bonds11

About 4-decoxy-3-methoxyaniline

4-decoxy-3-methoxyaniline (PubChem CID 27217) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-decoxy-3-methoxyaniline.

Molecular Properties

Compound Name4-decoxy-3-methoxyaniline
PubChem CID27217
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-decoxy-3-methoxyaniline
SMILESCCCCCCCCCCOc1ccc(N)cc1OC
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-7-8-9-10-13-20-16-12-11-15(18)14-17(16)19-2/h11-12,14H,3-10,13,18H2,1-2H3
InChIKeySRXKJCBJURRJSR-UHFFFAOYSA-N
XLogP4.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-decoxy-3-methoxyaniline?
The IUPAC name of 4-decoxy-3-methoxyaniline (CID 27217) is 4-decoxy-3-methoxyaniline.
What is the SMILES notation for 4-decoxy-3-methoxyaniline?
The canonical SMILES for 4-decoxy-3-methoxyaniline is CCCCCCCCCCOc1ccc(N)cc1OC.
What is the InChIKey of 4-decoxy-3-methoxyaniline?
The InChIKey is SRXKJCBJURRJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-4-5-6-7-8-9-10-13-20-16-12-11-15(18)14-17(16)19-2/h11-12,14H,3-10,13,18H2,1-2H3.
What are the key properties of 4-decoxy-3-methoxyaniline?
4-decoxy-3-methoxyaniline has a molecular weight of 279.42 g/mol, XLogP of 4.80, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decoxy-3-methoxyaniline is sourced from PubChem (CID 27217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).