2-[(2,5-diaminophenyl)methylamino]propan-1-ol

C10H17N3O — CID 22662293

IUPAC2-[(2,5-diaminophenyl)methylamino]propan-1-ol
SMILESCC(CO)NCc1cc(N)ccc1N
InChIInChI=1S/C10H17N3O/c1-7(6-14)13-5-8-4-9(11)2-3-10(8)12/h2-4,7,13-14H,5-6,11-12H2,1H3
InChIKeyHMPHIHAJWHLVNE-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.32
Rot. Bonds4

About 2-[(2,5-diaminophenyl)methylamino]propan-1-ol

2-[(2,5-diaminophenyl)methylamino]propan-1-ol (PubChem CID 22662293) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[(2,5-diaminophenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(2,5-diaminophenyl)methylamino]propan-1-ol
PubChem CID22662293
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[(2,5-diaminophenyl)methylamino]propan-1-ol
SMILESCC(CO)NCc1cc(N)ccc1N
InChIInChI=1S/C10H17N3O/c1-7(6-14)13-5-8-4-9(11)2-3-10(8)12/h2-4,7,13-14H,5-6,11-12H2,1H3
InChIKeyHMPHIHAJWHLVNE-UHFFFAOYSA-N
XLogP0.32
TPSA84.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[(2,5-diaminophenyl)methylamino]propan-1-ol?
The IUPAC name of 2-[(2,5-diaminophenyl)methylamino]propan-1-ol (CID 22662293) is 2-[(2,5-diaminophenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(2,5-diaminophenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(2,5-diaminophenyl)methylamino]propan-1-ol is CC(CO)NCc1cc(N)ccc1N.
What is the InChIKey of 2-[(2,5-diaminophenyl)methylamino]propan-1-ol?
The InChIKey is HMPHIHAJWHLVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(6-14)13-5-8-4-9(11)2-3-10(8)12/h2-4,7,13-14H,5-6,11-12H2,1H3.
What are the key properties of 2-[(2,5-diaminophenyl)methylamino]propan-1-ol?
2-[(2,5-diaminophenyl)methylamino]propan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-diaminophenyl)methylamino]propan-1-ol is sourced from PubChem (CID 22662293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).