1,3,4-trimethylnaphthalen-2-amine

C13H15N — CID 68501802

IUPAC1,3,4-trimethylnaphthalen-2-amine
SMILESCc1c(N)c(C)c2ccccc2c1C
InChIInChI=1S/C13H15N/c1-8-9(2)13(14)10(3)12-7-5-4-6-11(8)12/h4-7H,14H2,1-3H3
InChIKeyOSGFZHKNJAMAOW-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.35
Rot. Bonds

About 1,3,4-trimethylnaphthalen-2-amine

1,3,4-trimethylnaphthalen-2-amine (PubChem CID 68501802) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,3,4-trimethylnaphthalen-2-amine.

Molecular Properties

Compound Name1,3,4-trimethylnaphthalen-2-amine
PubChem CID68501802
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name1,3,4-trimethylnaphthalen-2-amine
SMILESCc1c(N)c(C)c2ccccc2c1C
InChIInChI=1S/C13H15N/c1-8-9(2)13(14)10(3)12-7-5-4-6-11(8)12/h4-7H,14H2,1-3H3
InChIKeyOSGFZHKNJAMAOW-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.35
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 1,3,4-trimethylnaphthalen-2-amine?
The IUPAC name of 1,3,4-trimethylnaphthalen-2-amine (CID 68501802) is 1,3,4-trimethylnaphthalen-2-amine.
What is the SMILES notation for 1,3,4-trimethylnaphthalen-2-amine?
The canonical SMILES for 1,3,4-trimethylnaphthalen-2-amine is Cc1c(N)c(C)c2ccccc2c1C.
What is the InChIKey of 1,3,4-trimethylnaphthalen-2-amine?
The InChIKey is OSGFZHKNJAMAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-8-9(2)13(14)10(3)12-7-5-4-6-11(8)12/h4-7H,14H2,1-3H3.
What are the key properties of 1,3,4-trimethylnaphthalen-2-amine?
1,3,4-trimethylnaphthalen-2-amine has a molecular weight of 185.27 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethylnaphthalen-2-amine is sourced from PubChem (CID 68501802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).