N-anthracen-9-yloxan-2-amine

C19H19NO — CID 175382056

IUPACN-anthracen-9-yloxan-2-amine
SMILESc1ccc2c(NC3CCCCO3)c3ccccc3cc2c1
InChIInChI=1S/C19H19NO/c1-3-9-16-14(7-1)13-15-8-2-4-10-17(15)19(16)20-18-11-5-6-12-21-18/h1-4,7-10,13,18,20H,5-6,11-12H2
InChIKeyCCHOENVAASWRMJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.93
Rot. Bonds2

About N-anthracen-9-yloxan-2-amine

N-anthracen-9-yloxan-2-amine (PubChem CID 175382056) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is N-anthracen-9-yloxan-2-amine.

Molecular Properties

Compound NameN-anthracen-9-yloxan-2-amine
PubChem CID175382056
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC NameN-anthracen-9-yloxan-2-amine
SMILESc1ccc2c(NC3CCCCO3)c3ccccc3cc2c1
InChIInChI=1S/C19H19NO/c1-3-9-16-14(7-1)13-15-8-2-4-10-17(15)19(16)20-18-11-5-6-12-21-18/h1-4,7-10,13,18,20H,5-6,11-12H2
InChIKeyCCHOENVAASWRMJ-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-anthracen-9-yloxan-2-amine?
The IUPAC name of N-anthracen-9-yloxan-2-amine (CID 175382056) is N-anthracen-9-yloxan-2-amine.
What is the SMILES notation for N-anthracen-9-yloxan-2-amine?
The canonical SMILES for N-anthracen-9-yloxan-2-amine is c1ccc2c(NC3CCCCO3)c3ccccc3cc2c1.
What is the InChIKey of N-anthracen-9-yloxan-2-amine?
The InChIKey is CCHOENVAASWRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-3-9-16-14(7-1)13-15-8-2-4-10-17(15)19(16)20-18-11-5-6-12-21-18/h1-4,7-10,13,18,20H,5-6,11-12H2.
What are the key properties of N-anthracen-9-yloxan-2-amine?
N-anthracen-9-yloxan-2-amine has a molecular weight of 277.37 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-anthracen-9-yloxan-2-amine is sourced from PubChem (CID 175382056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).