4-fluoro-2-N-(2,4,5-trimethylphenyl)benzene-1,2-diamine

C15H17FN2 — CID 115124059

IUPAC4-fluoro-2-N-(2,4,5-trimethylphenyl)benzene-1,2-diamine
SMILESCc1cc(C)c(Nc2cc(F)ccc2N)cc1C
InChIInChI=1S/C15H17FN2/c1-9-6-11(3)14(7-10(9)2)18-15-8-12(16)4-5-13(15)17/h4-8,18H,17H2,1-3H3
InChIKeyLEIODIRPPJGUIC-UHFFFAOYSA-N
MW244.31 g/mol
LogP4.08
Rot. Bonds2

About 4-fluoro-2-N-(2,4,5-trimethylphenyl)benzene-1,2-diamine

4-fluoro-2-N-(2,4,5-trimethylphenyl)benzene-1,2-diamine (PubChem CID 115124059) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 4-fluoro-2-N-(2,4,5-trimethylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-(2,4,5-trimethylphenyl)benzene-1,2-diamine
PubChem CID115124059
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name4-fluoro-2-N-(2,4,5-trimethylphenyl)benzene-1,2-diamine
SMILESCc1cc(C)c(Nc2cc(F)ccc2N)cc1C
InChIInChI=1S/C15H17FN2/c1-9-6-11(3)14(7-10(9)2)18-15-8-12(16)4-5-13(15)17/h4-8,18H,17H2,1-3H3
InChIKeyLEIODIRPPJGUIC-UHFFFAOYSA-N
XLogP4.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 54.08
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

2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 115126629
2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 114281220
2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine
CID 107526804
2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline
CID 152754160
1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine
CID 43165593
4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine
CID 63599579
2-N-(5-bromo-2-methoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 55068109
3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
CID 113325134
1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine
CID 29067161
2-N-(2,4-dibromophenyl)-4-fluorobenzene-1,2-diamine
CID 62376625
3-N-(2,5-difluorophenyl)-4-methylbenzene-1,3-diamine
CID 55091161
2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine
CID 55067874

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N-(2,4,5-trimethylphenyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-2-N-(2,4,5-trimethylphenyl)benzene-1,2-diamine (CID 115124059) is 4-fluoro-2-N-(2,4,5-trimethylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-N-(2,4,5-trimethylphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-2-N-(2,4,5-trimethylphenyl)benzene-1,2-diamine is Cc1cc(C)c(Nc2cc(F)ccc2N)cc1C.
What is the InChIKey of 4-fluoro-2-N-(2,4,5-trimethylphenyl)benzene-1,2-diamine?
The InChIKey is LEIODIRPPJGUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-9-6-11(3)14(7-10(9)2)18-15-8-12(16)4-5-13(15)17/h4-8,18H,17H2,1-3H3.
What are the key properties of 4-fluoro-2-N-(2,4,5-trimethylphenyl)benzene-1,2-diamine?
4-fluoro-2-N-(2,4,5-trimethylphenyl)benzene-1,2-diamine has a molecular weight of 244.31 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N-(2,4,5-trimethylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 115124059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).