4-(pentylamino)anthracen-1-ol

C19H21NO — CID 19765252

IUPAC4-(pentylamino)anthracen-1-ol
SMILESCCCCCNc1ccc(O)c2cc3ccccc3cc12
InChIInChI=1S/C19H21NO/c1-2-3-6-11-20-18-9-10-19(21)17-13-15-8-5-4-7-14(15)12-16(17)18/h4-5,7-10,12-13,20-21H,2-3,6,11H2,1H3
InChIKeyTWWFZGDJARVGHS-UHFFFAOYSA-N
MW279.38 g/mol
LogP5.30
Rot. Bonds5

About 4-(pentylamino)anthracen-1-ol

4-(pentylamino)anthracen-1-ol (PubChem CID 19765252) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-(pentylamino)anthracen-1-ol.

Molecular Properties

Compound Name4-(pentylamino)anthracen-1-ol
PubChem CID19765252
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name4-(pentylamino)anthracen-1-ol
SMILESCCCCCNc1ccc(O)c2cc3ccccc3cc12
InChIInChI=1S/C19H21NO/c1-2-3-6-11-20-18-9-10-19(21)17-13-15-8-5-4-7-14(15)12-16(17)18/h4-5,7-10,12-13,20-21H,2-3,6,11H2,1H3
InChIKeyTWWFZGDJARVGHS-UHFFFAOYSA-N
XLogP5.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.38
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(pentylamino)anthracen-1-ol?
The IUPAC name of 4-(pentylamino)anthracen-1-ol (CID 19765252) is 4-(pentylamino)anthracen-1-ol.
What is the SMILES notation for 4-(pentylamino)anthracen-1-ol?
The canonical SMILES for 4-(pentylamino)anthracen-1-ol is CCCCCNc1ccc(O)c2cc3ccccc3cc12.
What is the InChIKey of 4-(pentylamino)anthracen-1-ol?
The InChIKey is TWWFZGDJARVGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-3-6-11-20-18-9-10-19(21)17-13-15-8-5-4-7-14(15)12-16(17)18/h4-5,7-10,12-13,20-21H,2-3,6,11H2,1H3.
What are the key properties of 4-(pentylamino)anthracen-1-ol?
4-(pentylamino)anthracen-1-ol has a molecular weight of 279.38 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentylamino)anthracen-1-ol is sourced from PubChem (CID 19765252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).