N-methyl-N-phenylanthracen-9-amine

C21H17N — CID 22944738

IUPACN-methyl-N-phenylanthracen-9-amine
SMILESCN(c1ccccc1)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C21H17N/c1-22(18-11-3-2-4-12-18)21-19-13-7-5-9-16(19)15-17-10-6-8-14-20(17)21/h2-15H,1H3
InChIKeyXDJCIFRIAOBGTE-UHFFFAOYSA-N
MW283.37 g/mol
LogP5.76
Rot. Bonds2

About N-methyl-N-phenylanthracen-9-amine

N-methyl-N-phenylanthracen-9-amine (PubChem CID 22944738) has the molecular formula C21H17N and a molecular weight of 283.37 g/mol. Its IUPAC name is N-methyl-N-phenylanthracen-9-amine.

Molecular Properties

Compound NameN-methyl-N-phenylanthracen-9-amine
PubChem CID22944738
Molecular FormulaC21H17N
Molecular Weight283.37 g/mol
Exact Mass283.14
IUPAC NameN-methyl-N-phenylanthracen-9-amine
SMILESCN(c1ccccc1)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C21H17N/c1-22(18-11-3-2-4-12-18)21-19-13-7-5-9-16(19)15-17-10-6-8-14-20(17)21/h2-15H,1H3
InChIKeyXDJCIFRIAOBGTE-UHFFFAOYSA-N
XLogP5.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyl-N-phenylanthracen-9-amine?
The IUPAC name of N-methyl-N-phenylanthracen-9-amine (CID 22944738) is N-methyl-N-phenylanthracen-9-amine.
What is the SMILES notation for N-methyl-N-phenylanthracen-9-amine?
The canonical SMILES for N-methyl-N-phenylanthracen-9-amine is CN(c1ccccc1)c1c2ccccc2cc2ccccc12.
What is the InChIKey of N-methyl-N-phenylanthracen-9-amine?
The InChIKey is XDJCIFRIAOBGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N/c1-22(18-11-3-2-4-12-18)21-19-13-7-5-9-16(19)15-17-10-6-8-14-20(17)21/h2-15H,1H3.
What are the key properties of N-methyl-N-phenylanthracen-9-amine?
N-methyl-N-phenylanthracen-9-amine has a molecular weight of 283.37 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenylanthracen-9-amine is sourced from PubChem (CID 22944738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).