1-N-[2-(dimethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine

C15H18FN3 — CID 106759459

IUPAC1-N-[2-(dimethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine
SMILESCc1cc(Nc2ccccc2N(C)C)c(N)cc1F
InChIInChI=1S/C15H18FN3/c1-10-8-14(12(17)9-11(10)16)18-13-6-4-5-7-15(13)19(2)3/h4-9,18H,17H2,1-3H3
InChIKeyOEPYLWAUMBDFCB-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.53
Rot. Bonds3

About 1-N-[2-(dimethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine

1-N-[2-(dimethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine (PubChem CID 106759459) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine
PubChem CID106759459
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name1-N-[2-(dimethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine
SMILESCc1cc(Nc2ccccc2N(C)C)c(N)cc1F
InChIInChI=1S/C15H18FN3/c1-10-8-14(12(17)9-11(10)16)18-13-6-4-5-7-15(13)19(2)3/h4-9,18H,17H2,1-3H3
InChIKeyOEPYLWAUMBDFCB-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-[2-(dimethylamino)phenyl]-2,6-difluorobenzene-1,4-diamine
CID 106759464
1-N-[2-(dimethylamino)phenyl]-3-methylbenzene-1,2-diamine
CID 114041371
1-N-(5-chloro-2-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589946
4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine
CID 103589902
2-N-(2,3-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 114281232
4-amino-3-[2-(dimethylamino)anilino]benzoic acid
CID 106760641
1-N-[4-(diethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590376
1-N-(5-bromo-2,4-difluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590831
1-N-(4-bromo-2-ethylphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590606
4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine
CID 103590332
1-N-(2,6-dimethylphenyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 23597994
5-amino-6-[2-(dimethylamino)anilino]-1,3-dihydroindol-2-one
CID 106759462

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine (CID 106759459) is 1-N-[2-(dimethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine is Cc1cc(Nc2ccccc2N(C)C)c(N)cc1F.
What is the InChIKey of 1-N-[2-(dimethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine?
The InChIKey is OEPYLWAUMBDFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-10-8-14(12(17)9-11(10)16)18-13-6-4-5-7-15(13)19(2)3/h4-9,18H,17H2,1-3H3.
What are the key properties of 1-N-[2-(dimethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine?
1-N-[2-(dimethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-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 1-N-[2-(dimethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine is sourced from PubChem (CID 106759459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).