4-[3-(2-aminopropyl)phenoxy]aniline

C15H18N2O — CID 116996628

IUPAC4-[3-(2-aminopropyl)phenoxy]aniline
SMILESCC(N)Cc1cccc(Oc2ccc(N)cc2)c1
InChIInChI=1S/C15H18N2O/c1-11(16)9-12-3-2-4-15(10-12)18-14-7-5-13(17)6-8-14/h2-8,10-11H,9,16-17H2,1H3
InChIKeyMPQWQVKOQCNPJI-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.95
Rot. Bonds4

About 4-[3-(2-aminopropyl)phenoxy]aniline

4-[3-(2-aminopropyl)phenoxy]aniline (PubChem CID 116996628) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-[3-(2-aminopropyl)phenoxy]aniline.

Molecular Properties

Compound Name4-[3-(2-aminopropyl)phenoxy]aniline
PubChem CID116996628
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-[3-(2-aminopropyl)phenoxy]aniline
SMILESCC(N)Cc1cccc(Oc2ccc(N)cc2)c1
InChIInChI=1S/C15H18N2O/c1-11(16)9-12-3-2-4-15(10-12)18-14-7-5-13(17)6-8-14/h2-8,10-11H,9,16-17H2,1H3
InChIKeyMPQWQVKOQCNPJI-UHFFFAOYSA-N
XLogP2.95
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
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-[3-(2-aminopropyl)phenoxy]aniline?
The IUPAC name of 4-[3-(2-aminopropyl)phenoxy]aniline (CID 116996628) is 4-[3-(2-aminopropyl)phenoxy]aniline.
What is the SMILES notation for 4-[3-(2-aminopropyl)phenoxy]aniline?
The canonical SMILES for 4-[3-(2-aminopropyl)phenoxy]aniline is CC(N)Cc1cccc(Oc2ccc(N)cc2)c1.
What is the InChIKey of 4-[3-(2-aminopropyl)phenoxy]aniline?
The InChIKey is MPQWQVKOQCNPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11(16)9-12-3-2-4-15(10-12)18-14-7-5-13(17)6-8-14/h2-8,10-11H,9,16-17H2,1H3.
What are the key properties of 4-[3-(2-aminopropyl)phenoxy]aniline?
4-[3-(2-aminopropyl)phenoxy]aniline has a molecular weight of 242.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminopropyl)phenoxy]aniline is sourced from PubChem (CID 116996628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).