4-(1-methoxypropylamino)anthracen-1-ol

C18H19NO2 — CID 19765248

IUPAC4-(1-methoxypropylamino)anthracen-1-ol
SMILESCCC(Nc1ccc(O)c2cc3ccccc3cc12)OC
InChIInChI=1S/C18H19NO2/c1-3-18(21-2)19-16-8-9-17(20)15-11-13-7-5-4-6-12(13)10-14(15)16/h4-11,18-20H,3H2,1-2H3
InChIKeyMRNVFXLEJYUTSR-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.49
Rot. Bonds4

About 4-(1-methoxypropylamino)anthracen-1-ol

4-(1-methoxypropylamino)anthracen-1-ol (PubChem CID 19765248) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(1-methoxypropylamino)anthracen-1-ol.

Molecular Properties

Compound Name4-(1-methoxypropylamino)anthracen-1-ol
PubChem CID19765248
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name4-(1-methoxypropylamino)anthracen-1-ol
SMILESCCC(Nc1ccc(O)c2cc3ccccc3cc12)OC
InChIInChI=1S/C18H19NO2/c1-3-18(21-2)19-16-8-9-17(20)15-11-13-7-5-4-6-12(13)10-14(15)16/h4-11,18-20H,3H2,1-2H3
InChIKeyMRNVFXLEJYUTSR-UHFFFAOYSA-N
XLogP4.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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 4-(1-methoxypropylamino)anthracen-1-ol?
The IUPAC name of 4-(1-methoxypropylamino)anthracen-1-ol (CID 19765248) is 4-(1-methoxypropylamino)anthracen-1-ol.
What is the SMILES notation for 4-(1-methoxypropylamino)anthracen-1-ol?
The canonical SMILES for 4-(1-methoxypropylamino)anthracen-1-ol is CCC(Nc1ccc(O)c2cc3ccccc3cc12)OC.
What is the InChIKey of 4-(1-methoxypropylamino)anthracen-1-ol?
The InChIKey is MRNVFXLEJYUTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-18(21-2)19-16-8-9-17(20)15-11-13-7-5-4-6-12(13)10-14(15)16/h4-11,18-20H,3H2,1-2H3.
What are the key properties of 4-(1-methoxypropylamino)anthracen-1-ol?
4-(1-methoxypropylamino)anthracen-1-ol has a molecular weight of 281.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropylamino)anthracen-1-ol is sourced from PubChem (CID 19765248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).