3-[2-(2-amino-5-hydroxyanilino)ethoxy]propyl-trimethylazanium

C14H26N3O2+ — CID 89444163

IUPAC3-[2-(2-amino-5-hydroxyanilino)ethoxy]propyl-trimethylazanium
SMILESC[N+](C)(C)CCCOCCNc1cc(O)ccc1N
InChIInChI=1S/C14H25N3O2/c1-17(2,3)8-4-9-19-10-7-16-14-11-12(18)5-6-13(14)15/h5-6,11,16H,4,7-10,15H2,1-3H3/p+1
InChIKeyQTEVGPIPEUVHPF-UHFFFAOYSA-O
MW268.38 g/mol
LogP1.50
Rot. Bonds8

About 3-[2-(2-amino-5-hydroxyanilino)ethoxy]propyl-trimethylazanium

3-[2-(2-amino-5-hydroxyanilino)ethoxy]propyl-trimethylazanium (PubChem CID 89444163) has the molecular formula C14H26N3O2+ and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-[2-(2-amino-5-hydroxyanilino)ethoxy]propyl-trimethylazanium.

Molecular Properties

Compound Name3-[2-(2-amino-5-hydroxyanilino)ethoxy]propyl-trimethylazanium
PubChem CID89444163
Molecular FormulaC14H26N3O2+
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name3-[2-(2-amino-5-hydroxyanilino)ethoxy]propyl-trimethylazanium
SMILESC[N+](C)(C)CCCOCCNc1cc(O)ccc1N
InChIInChI=1S/C14H25N3O2/c1-17(2,3)8-4-9-19-10-7-16-14-11-12(18)5-6-13(14)15/h5-6,11,16H,4,7-10,15H2,1-3H3/p+1
InChIKeyQTEVGPIPEUVHPF-UHFFFAOYSA-O
XLogP1.50
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethylamino]phenol
CID 89444394
4-amino-3-[2-(dimethylamino)ethylamino]phenol
CID 118147492
4-amino-3-(2-butoxyethylamino)benzenesulfonamide
CID 82908082
2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol
CID 115468899
4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine
CID 65343271
4-chloro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 113315721
4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 82899707
4-amino-N-methyl-3-(3-propoxypropylamino)benzamide
CID 82940087
4-amino-3-(3-ethoxypropylamino)benzamide
CID 63355784
4-amino-3-(3-propoxypropylamino)benzonitrile
CID 113444258
4-amino-3-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]ethylamino]phenol
CID 89451678
4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 82942122

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-amino-5-hydroxyanilino)ethoxy]propyl-trimethylazanium?
The IUPAC name of 3-[2-(2-amino-5-hydroxyanilino)ethoxy]propyl-trimethylazanium (CID 89444163) is 3-[2-(2-amino-5-hydroxyanilino)ethoxy]propyl-trimethylazanium.
What is the SMILES notation for 3-[2-(2-amino-5-hydroxyanilino)ethoxy]propyl-trimethylazanium?
The canonical SMILES for 3-[2-(2-amino-5-hydroxyanilino)ethoxy]propyl-trimethylazanium is C[N+](C)(C)CCCOCCNc1cc(O)ccc1N.
What is the InChIKey of 3-[2-(2-amino-5-hydroxyanilino)ethoxy]propyl-trimethylazanium?
The InChIKey is QTEVGPIPEUVHPF-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H25N3O2/c1-17(2,3)8-4-9-19-10-7-16-14-11-12(18)5-6-13(14)15/h5-6,11,16H,4,7-10,15H2,1-3H3/p+1.
What are the key properties of 3-[2-(2-amino-5-hydroxyanilino)ethoxy]propyl-trimethylazanium?
3-[2-(2-amino-5-hydroxyanilino)ethoxy]propyl-trimethylazanium has a molecular weight of 268.38 g/mol, XLogP of 1.50, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-amino-5-hydroxyanilino)ethoxy]propyl-trimethylazanium is sourced from PubChem (CID 89444163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).