5-chloro-1-N-[(2-chlorophenyl)methyl]-6-fluoro-1-N-methylbenzene-1,2,4-triamine

C14H14Cl2FN3 — CID 103552776

IUPAC5-chloro-1-N-[(2-chlorophenyl)methyl]-6-fluoro-1-N-methylbenzene-1,2,4-triamine
SMILESCN(Cc1ccccc1Cl)c1c(N)cc(N)c(Cl)c1F
InChIInChI=1S/C14H14Cl2FN3/c1-20(7-8-4-2-3-5-9(8)15)14-11(19)6-10(18)12(16)13(14)17/h2-6H,7,18-19H2,1H3
InChIKeyZKNOPOYUBRHNAC-UHFFFAOYSA-N
MW314.19 g/mol
LogP3.93
Rot. Bonds3

About 5-chloro-1-N-[(2-chlorophenyl)methyl]-6-fluoro-1-N-methylbenzene-1,2,4-triamine

5-chloro-1-N-[(2-chlorophenyl)methyl]-6-fluoro-1-N-methylbenzene-1,2,4-triamine (PubChem CID 103552776) has the molecular formula C14H14Cl2FN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 5-chloro-1-N-[(2-chlorophenyl)methyl]-6-fluoro-1-N-methylbenzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-1-N-[(2-chlorophenyl)methyl]-6-fluoro-1-N-methylbenzene-1,2,4-triamine
PubChem CID103552776
Molecular FormulaC14H14Cl2FN3
Molecular Weight314.19 g/mol
Exact Mass313.05
IUPAC Name5-chloro-1-N-[(2-chlorophenyl)methyl]-6-fluoro-1-N-methylbenzene-1,2,4-triamine
SMILESCN(Cc1ccccc1Cl)c1c(N)cc(N)c(Cl)c1F
InChIInChI=1S/C14H14Cl2FN3/c1-20(7-8-4-2-3-5-9(8)15)14-11(19)6-10(18)12(16)13(14)17/h2-6H,7,18-19H2,1H3
InChIKeyZKNOPOYUBRHNAC-UHFFFAOYSA-N
XLogP3.93
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 53.93
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-1-N-ethyl-6-fluoro-1-N-methylbenzene-1,2,4-triamine
CID 103552641
4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-2,6-difluoro-N-methylaniline
CID 63786064
5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine
CID 103552991
2-[(1S)-1-aminoethyl]-N-[(2-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 78934499
5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine
CID 103552989
2-(4,6-diamino-3-chloro-2-fluoro-N-methylanilino)-N-methylacetamide
CID 103552661
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 78929716
6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 31537704
4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 43577989
3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834154
5-amino-6-[(2-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440145

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-N-[(2-chlorophenyl)methyl]-6-fluoro-1-N-methylbenzene-1,2,4-triamine?
The IUPAC name of 5-chloro-1-N-[(2-chlorophenyl)methyl]-6-fluoro-1-N-methylbenzene-1,2,4-triamine (CID 103552776) is 5-chloro-1-N-[(2-chlorophenyl)methyl]-6-fluoro-1-N-methylbenzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-1-N-[(2-chlorophenyl)methyl]-6-fluoro-1-N-methylbenzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-1-N-[(2-chlorophenyl)methyl]-6-fluoro-1-N-methylbenzene-1,2,4-triamine is CN(Cc1ccccc1Cl)c1c(N)cc(N)c(Cl)c1F.
What is the InChIKey of 5-chloro-1-N-[(2-chlorophenyl)methyl]-6-fluoro-1-N-methylbenzene-1,2,4-triamine?
The InChIKey is ZKNOPOYUBRHNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FN3/c1-20(7-8-4-2-3-5-9(8)15)14-11(19)6-10(18)12(16)13(14)17/h2-6H,7,18-19H2,1H3.
What are the key properties of 5-chloro-1-N-[(2-chlorophenyl)methyl]-6-fluoro-1-N-methylbenzene-1,2,4-triamine?
5-chloro-1-N-[(2-chlorophenyl)methyl]-6-fluoro-1-N-methylbenzene-1,2,4-triamine has a molecular weight of 314.19 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-N-[(2-chlorophenyl)methyl]-6-fluoro-1-N-methylbenzene-1,2,4-triamine is sourced from PubChem (CID 103552776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).