4-[3-(1-ethoxypropan-2-yloxy)propyl]aniline

C14H23NO2 — CID 103488443

IUPAC4-[3-(1-ethoxypropan-2-yloxy)propyl]aniline
SMILESCCOCC(C)OCCCc1ccc(N)cc1
InChIInChI=1S/C14H23NO2/c1-3-16-11-12(2)17-10-4-5-13-6-8-14(15)9-7-13/h6-9,12H,3-5,10-11,15H2,1-2H3
InChIKeyOMUVHBSUIDCWLP-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.64
Rot. Bonds8

About 4-[3-(1-ethoxypropan-2-yloxy)propyl]aniline

4-[3-(1-ethoxypropan-2-yloxy)propyl]aniline (PubChem CID 103488443) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[3-(1-ethoxypropan-2-yloxy)propyl]aniline.

Molecular Properties

Compound Name4-[3-(1-ethoxypropan-2-yloxy)propyl]aniline
PubChem CID103488443
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[3-(1-ethoxypropan-2-yloxy)propyl]aniline
SMILESCCOCC(C)OCCCc1ccc(N)cc1
InChIInChI=1S/C14H23NO2/c1-3-16-11-12(2)17-10-4-5-13-6-8-14(15)9-7-13/h6-9,12H,3-5,10-11,15H2,1-2H3
InChIKeyOMUVHBSUIDCWLP-UHFFFAOYSA-N
XLogP2.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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-[3-(1-ethoxypropan-2-yloxy)propyl]aniline?
The IUPAC name of 4-[3-(1-ethoxypropan-2-yloxy)propyl]aniline (CID 103488443) is 4-[3-(1-ethoxypropan-2-yloxy)propyl]aniline.
What is the SMILES notation for 4-[3-(1-ethoxypropan-2-yloxy)propyl]aniline?
The canonical SMILES for 4-[3-(1-ethoxypropan-2-yloxy)propyl]aniline is CCOCC(C)OCCCc1ccc(N)cc1.
What is the InChIKey of 4-[3-(1-ethoxypropan-2-yloxy)propyl]aniline?
The InChIKey is OMUVHBSUIDCWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-16-11-12(2)17-10-4-5-13-6-8-14(15)9-7-13/h6-9,12H,3-5,10-11,15H2,1-2H3.
What are the key properties of 4-[3-(1-ethoxypropan-2-yloxy)propyl]aniline?
4-[3-(1-ethoxypropan-2-yloxy)propyl]aniline has a molecular weight of 237.34 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-ethoxypropan-2-yloxy)propyl]aniline is sourced from PubChem (CID 103488443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).