ethane;4-methylnaphthalen-2-amine

C15H23N — CID 144829259

IUPACethane;4-methylnaphthalen-2-amine
SMILESCC.CC.Cc1cc(N)cc2ccccc12
InChIInChI=1S/C11H11N.2C2H6/c1-8-6-10(12)7-9-4-2-3-5-11(8)9;2*1-2/h2-7H,12H2,1H3;2*1-2H3
InChIKeyHRQAAJAQGHHNNL-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.78
Rot. Bonds

About ethane;4-methylnaphthalen-2-amine

ethane;4-methylnaphthalen-2-amine (PubChem CID 144829259) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is ethane;4-methylnaphthalen-2-amine.

Molecular Properties

Compound Nameethane;4-methylnaphthalen-2-amine
PubChem CID144829259
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Nameethane;4-methylnaphthalen-2-amine
SMILESCC.CC.Cc1cc(N)cc2ccccc12
InChIInChI=1S/C11H11N.2C2H6/c1-8-6-10(12)7-9-4-2-3-5-11(8)9;2*1-2/h2-7H,12H2,1H3;2*1-2H3
InChIKeyHRQAAJAQGHHNNL-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.78
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;4-methylnaphthalen-2-amine?
The IUPAC name of ethane;4-methylnaphthalen-2-amine (CID 144829259) is ethane;4-methylnaphthalen-2-amine.
What is the SMILES notation for ethane;4-methylnaphthalen-2-amine?
The canonical SMILES for ethane;4-methylnaphthalen-2-amine is CC.CC.Cc1cc(N)cc2ccccc12.
What is the InChIKey of ethane;4-methylnaphthalen-2-amine?
The InChIKey is HRQAAJAQGHHNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.2C2H6/c1-8-6-10(12)7-9-4-2-3-5-11(8)9;2*1-2/h2-7H,12H2,1H3;2*1-2H3.
What are the key properties of ethane;4-methylnaphthalen-2-amine?
ethane;4-methylnaphthalen-2-amine has a molecular weight of 217.36 g/mol, XLogP of 4.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylnaphthalen-2-amine is sourced from PubChem (CID 144829259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).