N-(4-methylphenyl)phenanthren-4-amine

C21H17N — CID 122607190

IUPACN-(4-methylphenyl)phenanthren-4-amine
SMILESCc1ccc(Nc2cccc3ccc4ccccc4c23)cc1
InChIInChI=1S/C21H17N/c1-15-9-13-18(14-10-15)22-20-8-4-6-17-12-11-16-5-2-3-7-19(16)21(17)20/h2-14,22H,1H3
InChIKeyXCAZMBYOBQJIGQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP6.05
Rot. Bonds2

About N-(4-methylphenyl)phenanthren-4-amine

N-(4-methylphenyl)phenanthren-4-amine (PubChem CID 122607190) has the molecular formula C21H17N and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(4-methylphenyl)phenanthren-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)phenanthren-4-amine
PubChem CID122607190
Molecular FormulaC21H17N
Molecular Weight283.37 g/mol
Exact Mass283.14
IUPAC NameN-(4-methylphenyl)phenanthren-4-amine
SMILESCc1ccc(Nc2cccc3ccc4ccccc4c23)cc1
InChIInChI=1S/C21H17N/c1-15-9-13-18(14-10-15)22-20-8-4-6-17-12-11-16-5-2-3-7-19(16)21(17)20/h2-14,22H,1H3
InChIKeyXCAZMBYOBQJIGQ-UHFFFAOYSA-N
XLogP6.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)phenanthren-4-amine?
The IUPAC name of N-(4-methylphenyl)phenanthren-4-amine (CID 122607190) is N-(4-methylphenyl)phenanthren-4-amine.
What is the SMILES notation for N-(4-methylphenyl)phenanthren-4-amine?
The canonical SMILES for N-(4-methylphenyl)phenanthren-4-amine is Cc1ccc(Nc2cccc3ccc4ccccc4c23)cc1.
What is the InChIKey of N-(4-methylphenyl)phenanthren-4-amine?
The InChIKey is XCAZMBYOBQJIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N/c1-15-9-13-18(14-10-15)22-20-8-4-6-17-12-11-16-5-2-3-7-19(16)21(17)20/h2-14,22H,1H3.
What are the key properties of N-(4-methylphenyl)phenanthren-4-amine?
N-(4-methylphenyl)phenanthren-4-amine has a molecular weight of 283.37 g/mol, XLogP of 6.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)phenanthren-4-amine is sourced from PubChem (CID 122607190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).