N-(1-phenylethyl)anthracen-9-amine

C22H19N — CID 85436325

IUPACN-(1-phenylethyl)anthracen-9-amine
SMILESCC(Nc1c2ccccc2cc2ccccc12)c1ccccc1
InChIInChI=1S/C22H19N/c1-16(17-9-3-2-4-10-17)23-22-20-13-7-5-11-18(20)15-19-12-6-8-14-21(19)22/h2-16,23H,1H3
InChIKeyRBQURHBOSJAGMB-UHFFFAOYSA-N
MW297.40 g/mol
LogP6.17
Rot. Bonds3

About N-(1-phenylethyl)anthracen-9-amine

N-(1-phenylethyl)anthracen-9-amine (PubChem CID 85436325) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(1-phenylethyl)anthracen-9-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)anthracen-9-amine
PubChem CID85436325
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC NameN-(1-phenylethyl)anthracen-9-amine
SMILESCC(Nc1c2ccccc2cc2ccccc12)c1ccccc1
InChIInChI=1S/C22H19N/c1-16(17-9-3-2-4-10-17)23-22-20-13-7-5-11-18(20)15-19-12-6-8-14-21(19)22/h2-16,23H,1H3
InChIKeyRBQURHBOSJAGMB-UHFFFAOYSA-N
XLogP6.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 56.17
H-Bond Donors ≤ 51
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-(1-phenylethyl)anthracen-9-amine?
The IUPAC name of N-(1-phenylethyl)anthracen-9-amine (CID 85436325) is N-(1-phenylethyl)anthracen-9-amine.
What is the SMILES notation for N-(1-phenylethyl)anthracen-9-amine?
The canonical SMILES for N-(1-phenylethyl)anthracen-9-amine is CC(Nc1c2ccccc2cc2ccccc12)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)anthracen-9-amine?
The InChIKey is RBQURHBOSJAGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-16(17-9-3-2-4-10-17)23-22-20-13-7-5-11-18(20)15-19-12-6-8-14-21(19)22/h2-16,23H,1H3.
What are the key properties of N-(1-phenylethyl)anthracen-9-amine?
N-(1-phenylethyl)anthracen-9-amine has a molecular weight of 297.40 g/mol, XLogP of 6.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)anthracen-9-amine is sourced from PubChem (CID 85436325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).