aniline;naphthalen-2-amine

C16H16N2 — CID 158733233

IUPACaniline;naphthalen-2-amine
SMILESNc1ccc2ccccc2c1.Nc1ccccc1
InChIInChI=1S/C10H9N.C6H7N/c11-10-6-5-8-3-1-2-4-9(8)7-10;7-6-4-2-1-3-5-6/h1-7H,11H2;1-5H,7H2
InChIKeyILIXPAUMNCDWLL-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.69
Rot. Bonds

About aniline;naphthalen-2-amine

aniline;naphthalen-2-amine (PubChem CID 158733233) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is aniline;naphthalen-2-amine.

Molecular Properties

Compound Nameaniline;naphthalen-2-amine
PubChem CID158733233
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Nameaniline;naphthalen-2-amine
SMILESNc1ccc2ccccc2c1.Nc1ccccc1
InChIInChI=1S/C10H9N.C6H7N/c11-10-6-5-8-3-1-2-4-9(8)7-10;7-6-4-2-1-3-5-6/h1-7H,11H2;1-5H,7H2
InChIKeyILIXPAUMNCDWLL-UHFFFAOYSA-N
XLogP3.69
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aniline;naphthalen-2-amine?
The IUPAC name of aniline;naphthalen-2-amine (CID 158733233) is aniline;naphthalen-2-amine.
What is the SMILES notation for aniline;naphthalen-2-amine?
The canonical SMILES for aniline;naphthalen-2-amine is Nc1ccc2ccccc2c1.Nc1ccccc1.
What is the InChIKey of aniline;naphthalen-2-amine?
The InChIKey is ILIXPAUMNCDWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C6H7N/c11-10-6-5-8-3-1-2-4-9(8)7-10;7-6-4-2-1-3-5-6/h1-7H,11H2;1-5H,7H2.
What are the key properties of aniline;naphthalen-2-amine?
aniline;naphthalen-2-amine has a molecular weight of 236.32 g/mol, XLogP of 3.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;naphthalen-2-amine is sourced from PubChem (CID 158733233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).