2-methyl-4-naphthalen-2-ylaniline

C17H15N — CID 54912511

IUPAC2-methyl-4-naphthalen-2-ylaniline
SMILESCc1cc(-c2ccc3ccccc3c2)ccc1N
InChIInChI=1S/C17H15N/c1-12-10-15(8-9-17(12)18)16-7-6-13-4-2-3-5-14(13)11-16/h2-11H,18H2,1H3
InChIKeyIFXUGGNMQGWMHC-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.40
Rot. Bonds1

About 2-methyl-4-naphthalen-2-ylaniline

2-methyl-4-naphthalen-2-ylaniline (PubChem CID 54912511) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-4-naphthalen-2-ylaniline.

Molecular Properties

Compound Name2-methyl-4-naphthalen-2-ylaniline
PubChem CID54912511
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name2-methyl-4-naphthalen-2-ylaniline
SMILESCc1cc(-c2ccc3ccccc3c2)ccc1N
InChIInChI=1S/C17H15N/c1-12-10-15(8-9-17(12)18)16-7-6-13-4-2-3-5-14(13)11-16/h2-11H,18H2,1H3
InChIKeyIFXUGGNMQGWMHC-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.40
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 2-methyl-4-naphthalen-2-ylaniline?
The IUPAC name of 2-methyl-4-naphthalen-2-ylaniline (CID 54912511) is 2-methyl-4-naphthalen-2-ylaniline.
What is the SMILES notation for 2-methyl-4-naphthalen-2-ylaniline?
The canonical SMILES for 2-methyl-4-naphthalen-2-ylaniline is Cc1cc(-c2ccc3ccccc3c2)ccc1N.
What is the InChIKey of 2-methyl-4-naphthalen-2-ylaniline?
The InChIKey is IFXUGGNMQGWMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c1-12-10-15(8-9-17(12)18)16-7-6-13-4-2-3-5-14(13)11-16/h2-11H,18H2,1H3.
What are the key properties of 2-methyl-4-naphthalen-2-ylaniline?
2-methyl-4-naphthalen-2-ylaniline has a molecular weight of 233.31 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-naphthalen-2-ylaniline is sourced from PubChem (CID 54912511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).