[3-(acridin-1-ylamino)-5-aminophenyl]methanol

C20H17N3O — CID 54032785

IUPAC[3-(acridin-1-ylamino)-5-aminophenyl]methanol
SMILESNc1cc(CO)cc(Nc2cccc3nc4ccccc4cc23)c1
InChIInChI=1S/C20H17N3O/c21-15-8-13(12-24)9-16(11-15)22-19-6-3-7-20-17(19)10-14-4-1-2-5-18(14)23-20/h1-11,22,24H,12,21H2
InChIKeyLGULTUFELJJHRM-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.21
Rot. Bonds3

About [3-(acridin-1-ylamino)-5-aminophenyl]methanol

[3-(acridin-1-ylamino)-5-aminophenyl]methanol (PubChem CID 54032785) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is [3-(acridin-1-ylamino)-5-aminophenyl]methanol.

Molecular Properties

Compound Name[3-(acridin-1-ylamino)-5-aminophenyl]methanol
PubChem CID54032785
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name[3-(acridin-1-ylamino)-5-aminophenyl]methanol
SMILESNc1cc(CO)cc(Nc2cccc3nc4ccccc4cc23)c1
InChIInChI=1S/C20H17N3O/c21-15-8-13(12-24)9-16(11-15)22-19-6-3-7-20-17(19)10-14-4-1-2-5-18(14)23-20/h1-11,22,24H,12,21H2
InChIKeyLGULTUFELJJHRM-UHFFFAOYSA-N
XLogP4.21
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(acridin-1-ylamino)-5-aminophenyl]methanol?
The IUPAC name of [3-(acridin-1-ylamino)-5-aminophenyl]methanol (CID 54032785) is [3-(acridin-1-ylamino)-5-aminophenyl]methanol.
What is the SMILES notation for [3-(acridin-1-ylamino)-5-aminophenyl]methanol?
The canonical SMILES for [3-(acridin-1-ylamino)-5-aminophenyl]methanol is Nc1cc(CO)cc(Nc2cccc3nc4ccccc4cc23)c1.
What is the InChIKey of [3-(acridin-1-ylamino)-5-aminophenyl]methanol?
The InChIKey is LGULTUFELJJHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c21-15-8-13(12-24)9-16(11-15)22-19-6-3-7-20-17(19)10-14-4-1-2-5-18(14)23-20/h1-11,22,24H,12,21H2.
What are the key properties of [3-(acridin-1-ylamino)-5-aminophenyl]methanol?
[3-(acridin-1-ylamino)-5-aminophenyl]methanol has a molecular weight of 315.38 g/mol, XLogP of 4.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(acridin-1-ylamino)-5-aminophenyl]methanol is sourced from PubChem (CID 54032785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).