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

C13H19ClFN3 — CID 103552657

IUPAC5-chloro-6-fluoro-1-N-(3-methylcyclohexyl)benzene-1,2,4-triamine
SMILESCC1CCCC(Nc2c(N)cc(N)c(Cl)c2F)C1
InChIInChI=1S/C13H19ClFN3/c1-7-3-2-4-8(5-7)18-13-10(17)6-9(16)11(14)12(13)15/h6-8,18H,2-5,16-17H2,1H3
InChIKeyNHYXVMHKTVCIOJ-UHFFFAOYSA-N
MW271.77 g/mol
LogP3.63
Rot. Bonds2

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

5-chloro-6-fluoro-1-N-(3-methylcyclohexyl)benzene-1,2,4-triamine (PubChem CID 103552657) has the molecular formula C13H19ClFN3 and a molecular weight of 271.77 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-N-(3-methylcyclohexyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-N-(3-methylcyclohexyl)benzene-1,2,4-triamine
PubChem CID103552657
Molecular FormulaC13H19ClFN3
Molecular Weight271.77 g/mol
Exact Mass271.13
IUPAC Name5-chloro-6-fluoro-1-N-(3-methylcyclohexyl)benzene-1,2,4-triamine
SMILESCC1CCCC(Nc2c(N)cc(N)c(Cl)c2F)C1
InChIInChI=1S/C13H19ClFN3/c1-7-3-2-4-8(5-7)18-13-10(17)6-9(16)11(14)12(13)15/h6-8,18H,2-5,16-17H2,1H3
InChIKeyNHYXVMHKTVCIOJ-UHFFFAOYSA-N
XLogP3.63
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 53.63
H-Bond Donors ≤ 53
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-(3-methylcyclobutyl)benzene-1,2,4-triamine
CID 103553462
5-chloro-1-N-(3-ethylcyclohexyl)-6-fluorobenzene-1,2,4-triamine
CID 103553200
5-chloro-1-N-cycloheptyl-6-fluorobenzene-1,2,4-triamine
CID 103552637
5-chloro-1-N-(1,2-dimethylpiperidin-4-yl)-6-fluorobenzene-1,2,4-triamine
CID 103553346
3,4-difluoro-2-N-(3-methylcyclohexyl)benzene-1,2-diamine
CID 62533166
5-chloro-6-fluoro-1-N-(thian-3-yl)benzene-1,2,4-triamine
CID 103553492
5-chloro-1-N-cyclohex-3-en-1-yl-6-fluorobenzene-1,2,4-triamine
CID 103553239
3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline
CID 62810702
3,5-dichloro-N-(3-methylcyclohexyl)aniline
CID 43111020
5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine
CID 112647121
2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline
CID 107527568
4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline
CID 43111567

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-N-(3-methylcyclohexyl)benzene-1,2,4-triamine?
The IUPAC name of 5-chloro-6-fluoro-1-N-(3-methylcyclohexyl)benzene-1,2,4-triamine (CID 103552657) is 5-chloro-6-fluoro-1-N-(3-methylcyclohexyl)benzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-6-fluoro-1-N-(3-methylcyclohexyl)benzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-6-fluoro-1-N-(3-methylcyclohexyl)benzene-1,2,4-triamine is CC1CCCC(Nc2c(N)cc(N)c(Cl)c2F)C1.
What is the InChIKey of 5-chloro-6-fluoro-1-N-(3-methylcyclohexyl)benzene-1,2,4-triamine?
The InChIKey is NHYXVMHKTVCIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN3/c1-7-3-2-4-8(5-7)18-13-10(17)6-9(16)11(14)12(13)15/h6-8,18H,2-5,16-17H2,1H3.
What are the key properties of 5-chloro-6-fluoro-1-N-(3-methylcyclohexyl)benzene-1,2,4-triamine?
5-chloro-6-fluoro-1-N-(3-methylcyclohexyl)benzene-1,2,4-triamine has a molecular weight of 271.77 g/mol, XLogP of 3.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-N-(3-methylcyclohexyl)benzene-1,2,4-triamine is sourced from PubChem (CID 103552657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).