2-(2-methylphenyl)ethanamine

C9H13N — CID 2063868

IUPAC2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CCN
InChIInChI=1S/C9H13N/c1-8-4-2-3-5-9(8)6-7-10/h2-5H,6-7,10H2,1H3
InChIKeyOWOUKRYOZIZVFK-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.50
Rot. Bonds2

About 2-(2-methylphenyl)ethanamine

2-(2-methylphenyl)ethanamine (PubChem CID 2063868) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylphenyl)ethanamine
PubChem CID2063868
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CCN
InChIInChI=1S/C9H13N/c1-8-4-2-3-5-9(8)6-7-10/h2-5H,6-7,10H2,1H3
InChIKeyOWOUKRYOZIZVFK-UHFFFAOYSA-N
XLogP1.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(2-methylphenyl)ethanamine (CID 2063868) is 2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-methylphenyl)ethanamine is Cc1ccccc1CCN.
What is the InChIKey of 2-(2-methylphenyl)ethanamine?
The InChIKey is OWOUKRYOZIZVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-8-4-2-3-5-9(8)6-7-10/h2-5H,6-7,10H2,1H3.
What are the key properties of 2-(2-methylphenyl)ethanamine?
2-(2-methylphenyl)ethanamine has a molecular weight of 135.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 2063868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).