1-amino-3-(2,4-diaminophenoxy)propan-2-ol

C9H15N3O2 — CID 19835524

IUPAC1-amino-3-(2,4-diaminophenoxy)propan-2-ol
SMILESNCC(O)COc1ccc(N)cc1N
InChIInChI=1S/C9H15N3O2/c10-4-7(13)5-14-9-2-1-6(11)3-8(9)12/h1-3,7,13H,4-5,10-12H2
InChIKeyVQXZYUCCGJMHTP-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.45
Rot. Bonds4

About 1-amino-3-(2,4-diaminophenoxy)propan-2-ol

1-amino-3-(2,4-diaminophenoxy)propan-2-ol (PubChem CID 19835524) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-amino-3-(2,4-diaminophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2,4-diaminophenoxy)propan-2-ol
PubChem CID19835524
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-amino-3-(2,4-diaminophenoxy)propan-2-ol
SMILESNCC(O)COc1ccc(N)cc1N
InChIInChI=1S/C9H15N3O2/c10-4-7(13)5-14-9-2-1-6(11)3-8(9)12/h1-3,7,13H,4-5,10-12H2
InChIKeyVQXZYUCCGJMHTP-UHFFFAOYSA-N
XLogP-0.45
TPSA107.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(2,4-diaminophenoxy)-2-hydroxypropyl]-triethylazanium chloride
CID 141054171
[3-(2,4-diaminophenoxy)-2-hydroxypropyl]-triethylazanium bromide
CID 141054164
4-[3-(2,4-diaminophenoxy)-2-methylpropoxy]benzene-1,3-diamine
CID 20551654
1-amino-3-(2-amino-4-nitrophenoxy)propan-2-ol;hydrochloride
CID 19835547
2,3-bis(2,4-diaminophenoxy)propan-1-ol;tetrahydrochloride
CID 20510277
4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine
CID 15801088
4-[3-(2,4-diaminophenoxy)propoxy]benzene-1,3-diamine
CID 159131226
(2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol
CID 28602583
3-(4-amino-2-methoxyphenoxy)propane-1,2-diol
CID 82842415
(2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 9159069
4-[6-(2,4-diaminophenoxy)-5-methylhexoxy]benzene-1,3-diamine
CID 20551659
azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride
CID 175517081

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,4-diaminophenoxy)propan-2-ol?
The IUPAC name of 1-amino-3-(2,4-diaminophenoxy)propan-2-ol (CID 19835524) is 1-amino-3-(2,4-diaminophenoxy)propan-2-ol.
What is the SMILES notation for 1-amino-3-(2,4-diaminophenoxy)propan-2-ol?
The canonical SMILES for 1-amino-3-(2,4-diaminophenoxy)propan-2-ol is NCC(O)COc1ccc(N)cc1N.
What is the InChIKey of 1-amino-3-(2,4-diaminophenoxy)propan-2-ol?
The InChIKey is VQXZYUCCGJMHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-4-7(13)5-14-9-2-1-6(11)3-8(9)12/h1-3,7,13H,4-5,10-12H2.
What are the key properties of 1-amino-3-(2,4-diaminophenoxy)propan-2-ol?
1-amino-3-(2,4-diaminophenoxy)propan-2-ol has a molecular weight of 197.24 g/mol, XLogP of -0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,4-diaminophenoxy)propan-2-ol is sourced from PubChem (CID 19835524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).