4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine

C15H17FN2 — CID 20780029

IUPAC4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
SMILESCc1cc(C)c(Nc2ccc(F)cc2N)c(C)c1
InChIInChI=1S/C15H17FN2/c1-9-6-10(2)15(11(3)7-9)18-14-5-4-12(16)8-13(14)17/h4-8,18H,17H2,1-3H3
InChIKeyHHEQQRKLKNHYLN-UHFFFAOYSA-N
MW244.31 g/mol
LogP4.08
Rot. Bonds2

About 4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine

4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine (PubChem CID 20780029) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
PubChem CID20780029
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
SMILESCc1cc(C)c(Nc2ccc(F)cc2N)c(C)c1
InChIInChI=1S/C15H17FN2/c1-9-6-10(2)15(11(3)7-9)18-14-5-4-12(16)8-13(14)17/h4-8,18H,17H2,1-3H3
InChIKeyHHEQQRKLKNHYLN-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

1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine
CID 29067161
N-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline
CID 95475072
1-N-(3-chloro-4-methylphenyl)-4-fluorobenzene-1,2-diamine
CID 29066317
4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine
CID 115124737
4-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 62868013
1-N-(2-methoxy-4,6-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 115124937
4-bromo-1-N-(4-bromo-2,6-dimethylphenyl)benzene-1,2-diamine
CID 65467148
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
4-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine
CID 115124711
4-fluoro-1-N-(2-methylsulfanylphenyl)benzene-1,2-diamine
CID 107643386
4-fluoro-1-N-(4-methylsulfanylphenyl)benzene-1,2-diamine
CID 29066750

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine (CID 20780029) is 4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine is Cc1cc(C)c(Nc2ccc(F)cc2N)c(C)c1.
What is the InChIKey of 4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine?
The InChIKey is HHEQQRKLKNHYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-9-6-10(2)15(11(3)7-9)18-14-5-4-12(16)8-13(14)17/h4-8,18H,17H2,1-3H3.
What are the key properties of 4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine?
4-fluoro-1-N-(2,4,6-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-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 20780029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).