3-methyl-2,4-diphenylnaphthalen-1-amine

C23H19N — CID 174555006

IUPAC3-methyl-2,4-diphenylnaphthalen-1-amine
SMILESCc1c(-c2ccccc2)c(N)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C23H19N/c1-16-21(17-10-4-2-5-11-17)19-14-8-9-15-20(19)23(24)22(16)18-12-6-3-7-13-18/h2-15H,24H2,1H3
InChIKeyWBQDDBCPGOTSOG-UHFFFAOYSA-N
MW309.41 g/mol
LogP6.06
Rot. Bonds2

About 3-methyl-2,4-diphenylnaphthalen-1-amine

3-methyl-2,4-diphenylnaphthalen-1-amine (PubChem CID 174555006) has the molecular formula C23H19N and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-methyl-2,4-diphenylnaphthalen-1-amine.

Molecular Properties

Compound Name3-methyl-2,4-diphenylnaphthalen-1-amine
PubChem CID174555006
Molecular FormulaC23H19N
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC Name3-methyl-2,4-diphenylnaphthalen-1-amine
SMILESCc1c(-c2ccccc2)c(N)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C23H19N/c1-16-21(17-10-4-2-5-11-17)19-14-8-9-15-20(19)23(24)22(16)18-12-6-3-7-13-18/h2-15H,24H2,1H3
InChIKeyWBQDDBCPGOTSOG-UHFFFAOYSA-N
XLogP6.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 56.06
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 3-methyl-2,4-diphenylnaphthalen-1-amine?
The IUPAC name of 3-methyl-2,4-diphenylnaphthalen-1-amine (CID 174555006) is 3-methyl-2,4-diphenylnaphthalen-1-amine.
What is the SMILES notation for 3-methyl-2,4-diphenylnaphthalen-1-amine?
The canonical SMILES for 3-methyl-2,4-diphenylnaphthalen-1-amine is Cc1c(-c2ccccc2)c(N)c2ccccc2c1-c1ccccc1.
What is the InChIKey of 3-methyl-2,4-diphenylnaphthalen-1-amine?
The InChIKey is WBQDDBCPGOTSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N/c1-16-21(17-10-4-2-5-11-17)19-14-8-9-15-20(19)23(24)22(16)18-12-6-3-7-13-18/h2-15H,24H2,1H3.
What are the key properties of 3-methyl-2,4-diphenylnaphthalen-1-amine?
3-methyl-2,4-diphenylnaphthalen-1-amine has a molecular weight of 309.41 g/mol, XLogP of 6.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4-diphenylnaphthalen-1-amine is sourced from PubChem (CID 174555006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).