4-N-(2-fluorophenyl)-1-N-methylbenzene-1,4-diamine

C13H13FN2 — CID 117027231

IUPAC4-N-(2-fluorophenyl)-1-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(Nc2ccccc2F)cc1
InChIInChI=1S/C13H13FN2/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h2-9,15-16H,1H3
InChIKeyDKGNMGLSTQRFSQ-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.61
Rot. Bonds3

About 4-N-(2-fluorophenyl)-1-N-methylbenzene-1,4-diamine

4-N-(2-fluorophenyl)-1-N-methylbenzene-1,4-diamine (PubChem CID 117027231) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 4-N-(2-fluorophenyl)-1-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-fluorophenyl)-1-N-methylbenzene-1,4-diamine
PubChem CID117027231
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name4-N-(2-fluorophenyl)-1-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(Nc2ccccc2F)cc1
InChIInChI=1S/C13H13FN2/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h2-9,15-16H,1H3
InChIKeyDKGNMGLSTQRFSQ-UHFFFAOYSA-N
XLogP3.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluorophenyl)-1-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2-fluorophenyl)-1-N-methylbenzene-1,4-diamine (CID 117027231) is 4-N-(2-fluorophenyl)-1-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-fluorophenyl)-1-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-fluorophenyl)-1-N-methylbenzene-1,4-diamine is CNc1ccc(Nc2ccccc2F)cc1.
What is the InChIKey of 4-N-(2-fluorophenyl)-1-N-methylbenzene-1,4-diamine?
The InChIKey is DKGNMGLSTQRFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h2-9,15-16H,1H3.
What are the key properties of 4-N-(2-fluorophenyl)-1-N-methylbenzene-1,4-diamine?
4-N-(2-fluorophenyl)-1-N-methylbenzene-1,4-diamine has a molecular weight of 216.26 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluorophenyl)-1-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 117027231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).