3-methylnaphthalen-2-amine

C11H11N — CID 21168

IUPAC3-methylnaphthalen-2-amine
SMILESCc1cc2ccccc2cc1N
InChIInChI=1S/C11H11N/c1-8-6-9-4-2-3-5-10(9)7-11(8)12/h2-7H,12H2,1H3
InChIKeyBJICIOTXNBTOAJ-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.73
Rot. Bonds

About 3-methylnaphthalen-2-amine

3-methylnaphthalen-2-amine (PubChem CID 21168) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-methylnaphthalen-2-amine.

Molecular Properties

Compound Name3-methylnaphthalen-2-amine
PubChem CID21168
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name3-methylnaphthalen-2-amine
SMILESCc1cc2ccccc2cc1N
InChIInChI=1S/C11H11N/c1-8-6-9-4-2-3-5-10(9)7-11(8)12/h2-7H,12H2,1H3
InChIKeyBJICIOTXNBTOAJ-UHFFFAOYSA-N
XLogP2.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.73
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-methylnaphthalen-2-amine?
The IUPAC name of 3-methylnaphthalen-2-amine (CID 21168) is 3-methylnaphthalen-2-amine.
What is the SMILES notation for 3-methylnaphthalen-2-amine?
The canonical SMILES for 3-methylnaphthalen-2-amine is Cc1cc2ccccc2cc1N.
What is the InChIKey of 3-methylnaphthalen-2-amine?
The InChIKey is BJICIOTXNBTOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-8-6-9-4-2-3-5-10(9)7-11(8)12/h2-7H,12H2,1H3.
What are the key properties of 3-methylnaphthalen-2-amine?
3-methylnaphthalen-2-amine has a molecular weight of 157.22 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylnaphthalen-2-amine is sourced from PubChem (CID 21168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).