4-(2-methoxypropoxy)aniline

C10H15NO2 — CID 70550871

IUPAC4-(2-methoxypropoxy)aniline
SMILESCOC(C)COc1ccc(N)cc1
InChIInChI=1S/C10H15NO2/c1-8(12-2)7-13-10-5-3-9(11)4-6-10/h3-6,8H,7,11H2,1-2H3
InChIKeyPLZBPYUMDLSTJC-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.68
Rot. Bonds4

About 4-(2-methoxypropoxy)aniline

4-(2-methoxypropoxy)aniline (PubChem CID 70550871) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-(2-methoxypropoxy)aniline.

Molecular Properties

Compound Name4-(2-methoxypropoxy)aniline
PubChem CID70550871
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name4-(2-methoxypropoxy)aniline
SMILESCOC(C)COc1ccc(N)cc1
InChIInChI=1S/C10H15NO2/c1-8(12-2)7-13-10-5-3-9(11)4-6-10/h3-6,8H,7,11H2,1-2H3
InChIKeyPLZBPYUMDLSTJC-UHFFFAOYSA-N
XLogP1.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypropoxy)aniline?
The IUPAC name of 4-(2-methoxypropoxy)aniline (CID 70550871) is 4-(2-methoxypropoxy)aniline.
What is the SMILES notation for 4-(2-methoxypropoxy)aniline?
The canonical SMILES for 4-(2-methoxypropoxy)aniline is COC(C)COc1ccc(N)cc1.
What is the InChIKey of 4-(2-methoxypropoxy)aniline?
The InChIKey is PLZBPYUMDLSTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(12-2)7-13-10-5-3-9(11)4-6-10/h3-6,8H,7,11H2,1-2H3.
What are the key properties of 4-(2-methoxypropoxy)aniline?
4-(2-methoxypropoxy)aniline has a molecular weight of 181.23 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypropoxy)aniline is sourced from PubChem (CID 70550871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).