1,2-bis(4-aminophenoxy)ethane-1,1-diamine

C14H18N4O2 — CID 141003023

IUPAC1,2-bis(4-aminophenoxy)ethane-1,1-diamine
SMILESNc1ccc(OCC(N)(N)Oc2ccc(N)cc2)cc1
InChIInChI=1S/C14H18N4O2/c15-10-1-5-12(6-2-10)19-9-14(17,18)20-13-7-3-11(16)4-8-13/h1-8H,9,15-18H2
InChIKeyKQIWHLWDQIVWLR-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.88
Rot. Bonds5

About 1,2-bis(4-aminophenoxy)ethane-1,1-diamine

1,2-bis(4-aminophenoxy)ethane-1,1-diamine (PubChem CID 141003023) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1,2-bis(4-aminophenoxy)ethane-1,1-diamine.

Molecular Properties

Compound Name1,2-bis(4-aminophenoxy)ethane-1,1-diamine
PubChem CID141003023
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1,2-bis(4-aminophenoxy)ethane-1,1-diamine
SMILESNc1ccc(OCC(N)(N)Oc2ccc(N)cc2)cc1
InChIInChI=1S/C14H18N4O2/c15-10-1-5-12(6-2-10)19-9-14(17,18)20-13-7-3-11(16)4-8-13/h1-8H,9,15-18H2
InChIKeyKQIWHLWDQIVWLR-UHFFFAOYSA-N
XLogP0.88
TPSA122.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,6-bis(4-aminophenoxy)hexane-1,1-diamine
CID 172559201
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
(4-aminophenoxy)methanediazonium
CID 154269216
3-(4-aminophenoxy)-2-hydroxy-2-methylpropanoic acid
CID 86092479
4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline
CID 23321989
4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
CID 145159211
4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline
CID 43365871
4-(azidomethoxy)aniline
CID 152728355
4-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyaniline
CID 126498667
4-[2-(4-aminophenoxy)ethoxy]benzoic acid
CID 82147710
2-[4-(2,2-difluoropropoxy)phenyl]propan-2-amine
CID 84792720

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-aminophenoxy)ethane-1,1-diamine?
The IUPAC name of 1,2-bis(4-aminophenoxy)ethane-1,1-diamine (CID 141003023) is 1,2-bis(4-aminophenoxy)ethane-1,1-diamine.
What is the SMILES notation for 1,2-bis(4-aminophenoxy)ethane-1,1-diamine?
The canonical SMILES for 1,2-bis(4-aminophenoxy)ethane-1,1-diamine is Nc1ccc(OCC(N)(N)Oc2ccc(N)cc2)cc1.
What is the InChIKey of 1,2-bis(4-aminophenoxy)ethane-1,1-diamine?
The InChIKey is KQIWHLWDQIVWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-10-1-5-12(6-2-10)19-9-14(17,18)20-13-7-3-11(16)4-8-13/h1-8H,9,15-18H2.
What are the key properties of 1,2-bis(4-aminophenoxy)ethane-1,1-diamine?
1,2-bis(4-aminophenoxy)ethane-1,1-diamine has a molecular weight of 274.32 g/mol, XLogP of 0.88, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-aminophenoxy)ethane-1,1-diamine is sourced from PubChem (CID 141003023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).