2-[1-(2-aminophenoxy)-3-phenylpropoxy]aniline

C21H22N2O2 — CID 67573407

IUPAC2-[1-(2-aminophenoxy)-3-phenylpropoxy]aniline
SMILESNc1ccccc1OC(CCc1ccccc1)Oc1ccccc1N
InChIInChI=1S/C21H22N2O2/c22-17-10-4-6-12-19(17)24-21(15-14-16-8-2-1-3-9-16)25-20-13-7-5-11-18(20)23/h1-13,21H,14-15,22-23H2
InChIKeyHCWFSOQJFGTUJX-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.27
Rot. Bonds7

About 2-[1-(2-aminophenoxy)-3-phenylpropoxy]aniline

2-[1-(2-aminophenoxy)-3-phenylpropoxy]aniline (PubChem CID 67573407) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[1-(2-aminophenoxy)-3-phenylpropoxy]aniline.

Molecular Properties

Compound Name2-[1-(2-aminophenoxy)-3-phenylpropoxy]aniline
PubChem CID67573407
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-[1-(2-aminophenoxy)-3-phenylpropoxy]aniline
SMILESNc1ccccc1OC(CCc1ccccc1)Oc1ccccc1N
InChIInChI=1S/C21H22N2O2/c22-17-10-4-6-12-19(17)24-21(15-14-16-8-2-1-3-9-16)25-20-13-7-5-11-18(20)23/h1-13,21H,14-15,22-23H2
InChIKeyHCWFSOQJFGTUJX-UHFFFAOYSA-N
XLogP4.27
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminophenoxy)-3-phenylpropoxy]aniline?
The IUPAC name of 2-[1-(2-aminophenoxy)-3-phenylpropoxy]aniline (CID 67573407) is 2-[1-(2-aminophenoxy)-3-phenylpropoxy]aniline.
What is the SMILES notation for 2-[1-(2-aminophenoxy)-3-phenylpropoxy]aniline?
The canonical SMILES for 2-[1-(2-aminophenoxy)-3-phenylpropoxy]aniline is Nc1ccccc1OC(CCc1ccccc1)Oc1ccccc1N.
What is the InChIKey of 2-[1-(2-aminophenoxy)-3-phenylpropoxy]aniline?
The InChIKey is HCWFSOQJFGTUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c22-17-10-4-6-12-19(17)24-21(15-14-16-8-2-1-3-9-16)25-20-13-7-5-11-18(20)23/h1-13,21H,14-15,22-23H2.
What are the key properties of 2-[1-(2-aminophenoxy)-3-phenylpropoxy]aniline?
2-[1-(2-aminophenoxy)-3-phenylpropoxy]aniline has a molecular weight of 334.42 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminophenoxy)-3-phenylpropoxy]aniline is sourced from PubChem (CID 67573407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).