(2,3-dimethylphenyl)methanamine

C9H13N — CID 2800811

IUPAC(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(CN)c1C
InChIInChI=1S/C9H13N/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,6,10H2,1-2H3
InChIKeyUKLRWOHZBISUMI-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.76
Rot. Bonds1

About (2,3-dimethylphenyl)methanamine

(2,3-dimethylphenyl)methanamine (PubChem CID 2800811) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (2,3-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2,3-dimethylphenyl)methanamine
PubChem CID2800811
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(CN)c1C
InChIInChI=1S/C9H13N/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,6,10H2,1-2H3
InChIKeyUKLRWOHZBISUMI-UHFFFAOYSA-N
XLogP1.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)methanamine?
The IUPAC name of (2,3-dimethylphenyl)methanamine (CID 2800811) is (2,3-dimethylphenyl)methanamine.
What is the SMILES notation for (2,3-dimethylphenyl)methanamine?
The canonical SMILES for (2,3-dimethylphenyl)methanamine is Cc1cccc(CN)c1C.
What is the InChIKey of (2,3-dimethylphenyl)methanamine?
The InChIKey is UKLRWOHZBISUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,6,10H2,1-2H3.
What are the key properties of (2,3-dimethylphenyl)methanamine?
(2,3-dimethylphenyl)methanamine has a molecular weight of 135.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)methanamine is sourced from PubChem (CID 2800811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).