N-[4-(aminomethyl)phenyl]anthracen-1-amine

C21H18N2 — CID 174815298

IUPACN-[4-(aminomethyl)phenyl]anthracen-1-amine
SMILESNCc1ccc(Nc2cccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C21H18N2/c22-14-15-8-10-19(11-9-15)23-21-7-3-6-18-12-16-4-1-2-5-17(16)13-20(18)21/h1-13,23H,14,22H2
InChIKeyOWTPCENZIZOFGC-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.20
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]anthracen-1-amine

N-[4-(aminomethyl)phenyl]anthracen-1-amine (PubChem CID 174815298) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]anthracen-1-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]anthracen-1-amine
PubChem CID174815298
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC NameN-[4-(aminomethyl)phenyl]anthracen-1-amine
SMILESNCc1ccc(Nc2cccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C21H18N2/c22-14-15-8-10-19(11-9-15)23-21-7-3-6-18-12-16-4-1-2-5-17(16)13-20(18)21/h1-13,23H,14,22H2
InChIKeyOWTPCENZIZOFGC-UHFFFAOYSA-N
XLogP5.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.20
H-Bond Donors ≤ 52
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-[4-(aminomethyl)phenyl]anthracen-1-amine?
The IUPAC name of N-[4-(aminomethyl)phenyl]anthracen-1-amine (CID 174815298) is N-[4-(aminomethyl)phenyl]anthracen-1-amine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]anthracen-1-amine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]anthracen-1-amine is NCc1ccc(Nc2cccc3cc4ccccc4cc23)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]anthracen-1-amine?
The InChIKey is OWTPCENZIZOFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c22-14-15-8-10-19(11-9-15)23-21-7-3-6-18-12-16-4-1-2-5-17(16)13-20(18)21/h1-13,23H,14,22H2.
What are the key properties of N-[4-(aminomethyl)phenyl]anthracen-1-amine?
N-[4-(aminomethyl)phenyl]anthracen-1-amine has a molecular weight of 298.39 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]anthracen-1-amine is sourced from PubChem (CID 174815298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).