4-N-[4-(dimethylamino)phenyl]-2-fluoro-6-methylbenzene-1,4-diamine

C15H18FN3 — CID 57140034

IUPAC4-N-[4-(dimethylamino)phenyl]-2-fluoro-6-methylbenzene-1,4-diamine
SMILESCc1cc(Nc2ccc(N(C)C)cc2)cc(F)c1N
InChIInChI=1S/C15H18FN3/c1-10-8-12(9-14(16)15(10)17)18-11-4-6-13(7-5-11)19(2)3/h4-9,18H,17H2,1-3H3
InChIKeyXSDACABXQOWMPE-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.53
Rot. Bonds3

About 4-N-[4-(dimethylamino)phenyl]-2-fluoro-6-methylbenzene-1,4-diamine

4-N-[4-(dimethylamino)phenyl]-2-fluoro-6-methylbenzene-1,4-diamine (PubChem CID 57140034) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-N-[4-(dimethylamino)phenyl]-2-fluoro-6-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(dimethylamino)phenyl]-2-fluoro-6-methylbenzene-1,4-diamine
PubChem CID57140034
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name4-N-[4-(dimethylamino)phenyl]-2-fluoro-6-methylbenzene-1,4-diamine
SMILESCc1cc(Nc2ccc(N(C)C)cc2)cc(F)c1N
InChIInChI=1S/C15H18FN3/c1-10-8-12(9-14(16)15(10)17)18-11-4-6-13(7-5-11)19(2)3/h4-9,18H,17H2,1-3H3
InChIKeyXSDACABXQOWMPE-UHFFFAOYSA-N
XLogP3.53
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(dimethylamino)phenyl]-2-fluoro-6-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-[4-(dimethylamino)phenyl]-2-fluoro-6-methylbenzene-1,4-diamine (CID 57140034) is 4-N-[4-(dimethylamino)phenyl]-2-fluoro-6-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(dimethylamino)phenyl]-2-fluoro-6-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(dimethylamino)phenyl]-2-fluoro-6-methylbenzene-1,4-diamine is Cc1cc(Nc2ccc(N(C)C)cc2)cc(F)c1N.
What is the InChIKey of 4-N-[4-(dimethylamino)phenyl]-2-fluoro-6-methylbenzene-1,4-diamine?
The InChIKey is XSDACABXQOWMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-10-8-12(9-14(16)15(10)17)18-11-4-6-13(7-5-11)19(2)3/h4-9,18H,17H2,1-3H3.
What are the key properties of 4-N-[4-(dimethylamino)phenyl]-2-fluoro-6-methylbenzene-1,4-diamine?
4-N-[4-(dimethylamino)phenyl]-2-fluoro-6-methylbenzene-1,4-diamine has a molecular weight of 259.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(dimethylamino)phenyl]-2-fluoro-6-methylbenzene-1,4-diamine is sourced from PubChem (CID 57140034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).