2-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride

C15H20ClN3O2 — CID 22026518

IUPAC2-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride
SMILESCl.Nc1cccc(CNc2cc(N)ccc2OCCO)c1
InChIInChI=1S/C15H19N3O2.ClH/c16-12-3-1-2-11(8-12)10-18-14-9-13(17)4-5-15(14)20-7-6-19;/h1-5,8-9,18-19H,6-7,10,16-17H2;1H
InChIKeyCTTYFYXFNGCVGH-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.26
Rot. Bonds6

About 2-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride

2-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride (PubChem CID 22026518) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride
PubChem CID22026518
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride
SMILESCl.Nc1cccc(CNc2cc(N)ccc2OCCO)c1
InChIInChI=1S/C15H19N3O2.ClH/c16-12-3-1-2-11(8-12)10-18-14-9-13(17)4-5-15(14)20-7-6-19;/h1-5,8-9,18-19H,6-7,10,16-17H2;1H
InChIKeyCTTYFYXFNGCVGH-UHFFFAOYSA-N
XLogP2.26
TPSA93.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride?
The IUPAC name of 2-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride (CID 22026518) is 2-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride?
The canonical SMILES for 2-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride is Cl.Nc1cccc(CNc2cc(N)ccc2OCCO)c1.
What is the InChIKey of 2-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride?
The InChIKey is CTTYFYXFNGCVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c16-12-3-1-2-11(8-12)10-18-14-9-13(17)4-5-15(14)20-7-6-19;/h1-5,8-9,18-19H,6-7,10,16-17H2;1H.
What are the key properties of 2-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride?
2-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 2.26, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride is sourced from PubChem (CID 22026518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).