2-amino-5-[1-(4-aminophenoxy)propoxy]phenol

C15H18N2O3 — CID 90980349

IUPAC2-amino-5-[1-(4-aminophenoxy)propoxy]phenol
SMILESCCC(Oc1ccc(N)cc1)Oc1ccc(N)c(O)c1
InChIInChI=1S/C15H18N2O3/c1-2-15(19-11-5-3-10(16)4-6-11)20-12-7-8-13(17)14(18)9-12/h3-9,15,18H,2,16-17H2,1H3
InChIKeySIALUDUOOMUHKD-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.75
Rot. Bonds5

About 2-amino-5-[1-(4-aminophenoxy)propoxy]phenol

2-amino-5-[1-(4-aminophenoxy)propoxy]phenol (PubChem CID 90980349) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-amino-5-[1-(4-aminophenoxy)propoxy]phenol.

Molecular Properties

Compound Name2-amino-5-[1-(4-aminophenoxy)propoxy]phenol
PubChem CID90980349
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-amino-5-[1-(4-aminophenoxy)propoxy]phenol
SMILESCCC(Oc1ccc(N)cc1)Oc1ccc(N)c(O)c1
InChIInChI=1S/C15H18N2O3/c1-2-15(19-11-5-3-10(16)4-6-11)20-12-7-8-13(17)14(18)9-12/h3-9,15,18H,2,16-17H2,1H3
InChIKeySIALUDUOOMUHKD-UHFFFAOYSA-N
XLogP2.75
TPSA90.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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-amino-5-[1-(4-aminophenoxy)propoxy]phenol?
The IUPAC name of 2-amino-5-[1-(4-aminophenoxy)propoxy]phenol (CID 90980349) is 2-amino-5-[1-(4-aminophenoxy)propoxy]phenol.
What is the SMILES notation for 2-amino-5-[1-(4-aminophenoxy)propoxy]phenol?
The canonical SMILES for 2-amino-5-[1-(4-aminophenoxy)propoxy]phenol is CCC(Oc1ccc(N)cc1)Oc1ccc(N)c(O)c1.
What is the InChIKey of 2-amino-5-[1-(4-aminophenoxy)propoxy]phenol?
The InChIKey is SIALUDUOOMUHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-15(19-11-5-3-10(16)4-6-11)20-12-7-8-13(17)14(18)9-12/h3-9,15,18H,2,16-17H2,1H3.
What are the key properties of 2-amino-5-[1-(4-aminophenoxy)propoxy]phenol?
2-amino-5-[1-(4-aminophenoxy)propoxy]phenol has a molecular weight of 274.32 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1-(4-aminophenoxy)propoxy]phenol is sourced from PubChem (CID 90980349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).