[5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine

C15H16FN — CID 62549550

IUPAC[5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine
SMILESCc1cccc(-c2ccc(F)c(CN)c2)c1C
InChIInChI=1S/C15H16FN/c1-10-4-3-5-14(11(10)2)12-6-7-15(16)13(8-12)9-17/h3-8H,9,17H2,1-2H3
InChIKeyOENQCXILQWMSBY-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.57
Rot. Bonds2

About [5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine

[5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine (PubChem CID 62549550) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is [5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine
PubChem CID62549550
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name[5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine
SMILESCc1cccc(-c2ccc(F)c(CN)c2)c1C
InChIInChI=1S/C15H16FN/c1-10-4-3-5-14(11(10)2)12-6-7-15(16)13(8-12)9-17/h3-8H,9,17H2,1-2H3
InChIKeyOENQCXILQWMSBY-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine?
The IUPAC name of [5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine (CID 62549550) is [5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine.
What is the SMILES notation for [5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine?
The canonical SMILES for [5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine is Cc1cccc(-c2ccc(F)c(CN)c2)c1C.
What is the InChIKey of [5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine?
The InChIKey is OENQCXILQWMSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-10-4-3-5-14(11(10)2)12-6-7-15(16)13(8-12)9-17/h3-8H,9,17H2,1-2H3.
What are the key properties of [5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine?
[5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine has a molecular weight of 229.30 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine is sourced from PubChem (CID 62549550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).