ethane;naphthalen-2-amine

C12H15N — CID 70389802

IUPACethane;naphthalen-2-amine
SMILESCC.Nc1ccc2ccccc2c1
InChIInChI=1S/C10H9N.C2H6/c11-10-6-5-8-3-1-2-4-9(8)7-10;1-2/h1-7H,11H2;1-2H3
InChIKeyWLXXTWYGYYMLBE-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.45
Rot. Bonds

About ethane;naphthalen-2-amine

ethane;naphthalen-2-amine (PubChem CID 70389802) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is ethane;naphthalen-2-amine.

Molecular Properties

Compound Nameethane;naphthalen-2-amine
PubChem CID70389802
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Nameethane;naphthalen-2-amine
SMILESCC.Nc1ccc2ccccc2c1
InChIInChI=1S/C10H9N.C2H6/c11-10-6-5-8-3-1-2-4-9(8)7-10;1-2/h1-7H,11H2;1-2H3
InChIKeyWLXXTWYGYYMLBE-UHFFFAOYSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.45
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 ethane;naphthalen-2-amine?
The IUPAC name of ethane;naphthalen-2-amine (CID 70389802) is ethane;naphthalen-2-amine.
What is the SMILES notation for ethane;naphthalen-2-amine?
The canonical SMILES for ethane;naphthalen-2-amine is CC.Nc1ccc2ccccc2c1.
What is the InChIKey of ethane;naphthalen-2-amine?
The InChIKey is WLXXTWYGYYMLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C2H6/c11-10-6-5-8-3-1-2-4-9(8)7-10;1-2/h1-7H,11H2;1-2H3.
What are the key properties of ethane;naphthalen-2-amine?
ethane;naphthalen-2-amine has a molecular weight of 173.26 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;naphthalen-2-amine is sourced from PubChem (CID 70389802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).