3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine

C13H13FN2 — CID 63077293

IUPAC3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine
SMILESCc1c(N)cccc1Nc1ccccc1F
InChIInChI=1S/C13H13FN2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14/h2-8,16H,15H2,1H3
InChIKeyLHXSRPVKXOFWLB-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.46
Rot. Bonds2

About 3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine

3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine (PubChem CID 63077293) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine
PubChem CID63077293
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine
SMILESCc1c(N)cccc1Nc1ccccc1F
InChIInChI=1S/C13H13FN2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14/h2-8,16H,15H2,1H3
InChIKeyLHXSRPVKXOFWLB-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine (CID 63077293) is 3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine is Cc1c(N)cccc1Nc1ccccc1F.
What is the InChIKey of 3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine?
The InChIKey is LHXSRPVKXOFWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14/h2-8,16H,15H2,1H3.
What are the key properties of 3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine?
3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine has a molecular weight of 216.26 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 63077293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).