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

C13H13FN2 — CID 101413906

IUPAC4-N-(4-fluorophenyl)-1-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(Nc2ccc(F)cc2)cc1
InChIInChI=1S/C13H13FN2/c1-15-11-6-8-13(9-7-11)16-12-4-2-10(14)3-5-12/h2-9,15-16H,1H3
InChIKeyFMKLRAWBKLEVCF-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.61
Rot. Bonds3

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

4-N-(4-fluorophenyl)-1-N-methylbenzene-1,4-diamine (PubChem CID 101413906) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-1-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-1-N-methylbenzene-1,4-diamine
PubChem CID101413906
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name4-N-(4-fluorophenyl)-1-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(Nc2ccc(F)cc2)cc1
InChIInChI=1S/C13H13FN2/c1-15-11-6-8-13(9-7-11)16-12-4-2-10(14)3-5-12/h2-9,15-16H,1H3
InChIKeyFMKLRAWBKLEVCF-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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Related Compounds

1-N,3-N,5-N-tris(4-fluorophenyl)benzene-1,3,5-triamine
CID 14762541
methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine
CID 143782226
ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 91075726
N-(4-fluorophenyl)-3,4-dimethylaniline
CID 11020276
N-(4-fluorophenyl)-6-methylpyridin-3-amine
CID 141340358
4-N-(2-fluorophenyl)-1-N-methylbenzene-1,4-diamine
CID 117027231
4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027222
4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline
CID 115212690
3-fluoro-N-(4-fluorophenyl)aniline
CID 54316192
4-fluoro-N-(methylaminosulfanyl)aniline
CID 145139879
5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761234
4-[1-[[1-(4-fluorophenyl)cyclopropyl]amino]ethenyl]-N-methylaniline
CID 143682053

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-1-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4-fluorophenyl)-1-N-methylbenzene-1,4-diamine (CID 101413906) is 4-N-(4-fluorophenyl)-1-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-fluorophenyl)-1-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-fluorophenyl)-1-N-methylbenzene-1,4-diamine is CNc1ccc(Nc2ccc(F)cc2)cc1.
What is the InChIKey of 4-N-(4-fluorophenyl)-1-N-methylbenzene-1,4-diamine?
The InChIKey is FMKLRAWBKLEVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-15-11-6-8-13(9-7-11)16-12-4-2-10(14)3-5-12/h2-9,15-16H,1H3.
What are the key properties of 4-N-(4-fluorophenyl)-1-N-methylbenzene-1,4-diamine?
4-N-(4-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-(4-fluorophenyl)-1-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 101413906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).