1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine

C14H15FN2 — CID 29067161

IUPAC1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine
SMILESCc1ccc(C)c(Nc2ccc(F)cc2N)c1
InChIInChI=1S/C14H15FN2/c1-9-3-4-10(2)14(7-9)17-13-6-5-11(15)8-12(13)16/h3-8,17H,16H2,1-2H3
InChIKeyROLZLZCMDFWZBK-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.77
Rot. Bonds2

About 1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine

1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine (PubChem CID 29067161) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine
PubChem CID29067161
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine
SMILESCc1ccc(C)c(Nc2ccc(F)cc2N)c1
InChIInChI=1S/C14H15FN2/c1-9-3-4-10(2)14(7-9)17-13-6-5-11(15)8-12(13)16/h3-8,17H,16H2,1-2H3
InChIKeyROLZLZCMDFWZBK-UHFFFAOYSA-N
XLogP3.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
CID 29067167
4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
CID 20780029
4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine
CID 115124737
2-(2-amino-4-methylanilino)-5-fluorobenzonitrile
CID 82013404
1-N-(5-fluoro-2-methylphenyl)-4-nitrobenzene-1,2-diamine
CID 55079970
1-N-(3-chloro-4-methylphenyl)-4-fluorobenzene-1,2-diamine
CID 29066317
4-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 62868013
3-amino-4-(2,5-dimethylanilino)-N-methylbenzenesulfonamide
CID 43449178
methyl 3-amino-4-(2,5-dimethylanilino)benzoate
CID 61307779
1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine
CID 57130016
4-bromo-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
CID 29067383
2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 115126629

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine (CID 29067161) is 1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine is Cc1ccc(C)c(Nc2ccc(F)cc2N)c1.
What is the InChIKey of 1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine?
The InChIKey is ROLZLZCMDFWZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-9-3-4-10(2)14(7-9)17-13-6-5-11(15)8-12(13)16/h3-8,17H,16H2,1-2H3.
What are the key properties of 1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine?
1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine has a molecular weight of 230.29 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 29067161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).