4-methyl-10-phenyl-3,4-dihydroanthracen-9-amine

C21H19N — CID 166956954

IUPAC4-methyl-10-phenyl-3,4-dihydroanthracen-9-amine
SMILESCC1CC=Cc2c1c(-c1ccccc1)c1ccccc1c2N
InChIInChI=1S/C21H19N/c1-14-8-7-13-18-19(14)20(15-9-3-2-4-10-15)16-11-5-6-12-17(16)21(18)22/h2-7,9-14H,8,22H2,1H3
InChIKeyWXQWFWODJYGDQP-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.61
Rot. Bonds1

About 4-methyl-10-phenyl-3,4-dihydroanthracen-9-amine

4-methyl-10-phenyl-3,4-dihydroanthracen-9-amine (PubChem CID 166956954) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methyl-10-phenyl-3,4-dihydroanthracen-9-amine.

Molecular Properties

Compound Name4-methyl-10-phenyl-3,4-dihydroanthracen-9-amine
PubChem CID166956954
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name4-methyl-10-phenyl-3,4-dihydroanthracen-9-amine
SMILESCC1CC=Cc2c1c(-c1ccccc1)c1ccccc1c2N
InChIInChI=1S/C21H19N/c1-14-8-7-13-18-19(14)20(15-9-3-2-4-10-15)16-11-5-6-12-17(16)21(18)22/h2-7,9-14H,8,22H2,1H3
InChIKeyWXQWFWODJYGDQP-UHFFFAOYSA-N
XLogP5.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-10-phenyl-3,4-dihydroanthracen-9-amine?
The IUPAC name of 4-methyl-10-phenyl-3,4-dihydroanthracen-9-amine (CID 166956954) is 4-methyl-10-phenyl-3,4-dihydroanthracen-9-amine.
What is the SMILES notation for 4-methyl-10-phenyl-3,4-dihydroanthracen-9-amine?
The canonical SMILES for 4-methyl-10-phenyl-3,4-dihydroanthracen-9-amine is CC1CC=Cc2c1c(-c1ccccc1)c1ccccc1c2N.
What is the InChIKey of 4-methyl-10-phenyl-3,4-dihydroanthracen-9-amine?
The InChIKey is WXQWFWODJYGDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-14-8-7-13-18-19(14)20(15-9-3-2-4-10-15)16-11-5-6-12-17(16)21(18)22/h2-7,9-14H,8,22H2,1H3.
What are the key properties of 4-methyl-10-phenyl-3,4-dihydroanthracen-9-amine?
4-methyl-10-phenyl-3,4-dihydroanthracen-9-amine has a molecular weight of 285.39 g/mol, XLogP of 5.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-10-phenyl-3,4-dihydroanthracen-9-amine is sourced from PubChem (CID 166956954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).