2-[(2R,4R)-4-(2-aminophenoxy)pentan-2-yl]oxyaniline

C17H22N2O2 — CID 58649295

IUPAC2-[(2R,4R)-4-(2-aminophenoxy)pentan-2-yl]oxyaniline
SMILESC[C@H](C[C@@H](C)Oc1ccccc1N)Oc1ccccc1N
InChIInChI=1S/C17H22N2O2/c1-12(20-16-9-5-3-7-14(16)18)11-13(2)21-17-10-6-4-8-15(17)19/h3-10,12-13H,11,18-19H2,1-2H3/t12-,13-/m1/s1
InChIKeyLNNQAFFOLCBVEP-CHWSQXEVSA-N
MW286.38 g/mol
LogP3.48
Rot. Bonds6

About 2-[(2R,4R)-4-(2-aminophenoxy)pentan-2-yl]oxyaniline

2-[(2R,4R)-4-(2-aminophenoxy)pentan-2-yl]oxyaniline (PubChem CID 58649295) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[(2R,4R)-4-(2-aminophenoxy)pentan-2-yl]oxyaniline.

Molecular Properties

Compound Name2-[(2R,4R)-4-(2-aminophenoxy)pentan-2-yl]oxyaniline
PubChem CID58649295
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[(2R,4R)-4-(2-aminophenoxy)pentan-2-yl]oxyaniline
SMILESC[C@H](C[C@@H](C)Oc1ccccc1N)Oc1ccccc1N
InChIInChI=1S/C17H22N2O2/c1-12(20-16-9-5-3-7-14(16)18)11-13(2)21-17-10-6-4-8-15(17)19/h3-10,12-13H,11,18-19H2,1-2H3/t12-,13-/m1/s1
InChIKeyLNNQAFFOLCBVEP-CHWSQXEVSA-N
XLogP3.48
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-4-(2-aminophenoxy)pentan-2-yl]oxyaniline?
The IUPAC name of 2-[(2R,4R)-4-(2-aminophenoxy)pentan-2-yl]oxyaniline (CID 58649295) is 2-[(2R,4R)-4-(2-aminophenoxy)pentan-2-yl]oxyaniline.
What is the SMILES notation for 2-[(2R,4R)-4-(2-aminophenoxy)pentan-2-yl]oxyaniline?
The canonical SMILES for 2-[(2R,4R)-4-(2-aminophenoxy)pentan-2-yl]oxyaniline is C[C@H](C[C@@H](C)Oc1ccccc1N)Oc1ccccc1N.
What is the InChIKey of 2-[(2R,4R)-4-(2-aminophenoxy)pentan-2-yl]oxyaniline?
The InChIKey is LNNQAFFOLCBVEP-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(20-16-9-5-3-7-14(16)18)11-13(2)21-17-10-6-4-8-15(17)19/h3-10,12-13H,11,18-19H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of 2-[(2R,4R)-4-(2-aminophenoxy)pentan-2-yl]oxyaniline?
2-[(2R,4R)-4-(2-aminophenoxy)pentan-2-yl]oxyaniline has a molecular weight of 286.38 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-4-(2-aminophenoxy)pentan-2-yl]oxyaniline is sourced from PubChem (CID 58649295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).