5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine

C14H15ClFN3 — CID 103552989

IUPAC5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine
SMILESCc1cccc(N(C)c2c(N)cc(N)c(Cl)c2F)c1
InChIInChI=1S/C14H15ClFN3/c1-8-4-3-5-9(6-8)19(2)14-11(18)7-10(17)12(15)13(14)16/h3-7H,17-18H2,1-2H3
InChIKeyQUHHLIQJMKJGFE-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.72
Rot. Bonds2

About 5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine

5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine (PubChem CID 103552989) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine
PubChem CID103552989
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine
SMILESCc1cccc(N(C)c2c(N)cc(N)c(Cl)c2F)c1
InChIInChI=1S/C14H15ClFN3/c1-8-4-3-5-9(6-8)19(2)14-11(18)7-10(17)12(15)13(14)16/h3-7H,17-18H2,1-2H3
InChIKeyQUHHLIQJMKJGFE-UHFFFAOYSA-N
XLogP3.72
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.72
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

5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine
CID 103552991
5-chloro-1-N-ethyl-6-fluoro-1-N-methylbenzene-1,2,4-triamine
CID 103552641
2-chloro-4-N,5-dimethyl-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 113334304
4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline
CID 107082587
6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine
CID 113316893
4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline
CID 63815627
5-chloro-1-N-[(2-chlorophenyl)methyl]-6-fluoro-1-N-methylbenzene-1,2,4-triamine
CID 103552776
N,2,3,4,6-pentamethyl-N-(3-methylphenyl)aniline
CID 163852785
5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide
CID 107195569
5-chloro-1-N-cycloheptyl-6-fluoro-1-N-methylbenzene-1,2,4-triamine
CID 103552727
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
5-chloro-6-fluoro-1-N-[2-(3-methylphenoxy)ethyl]benzene-1,2,4-triamine
CID 103552930

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine?
The IUPAC name of 5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine (CID 103552989) is 5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine is Cc1cccc(N(C)c2c(N)cc(N)c(Cl)c2F)c1.
What is the InChIKey of 5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine?
The InChIKey is QUHHLIQJMKJGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-8-4-3-5-9(6-8)19(2)14-11(18)7-10(17)12(15)13(14)16/h3-7H,17-18H2,1-2H3.
What are the key properties of 5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine?
5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine has a molecular weight of 279.75 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine is sourced from PubChem (CID 103552989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).