5-chloro-1-N-cycloheptyl-6-fluorobenzene-1,2,4-triamine

C13H19ClFN3 — CID 103552637

IUPAC5-chloro-1-N-cycloheptyl-6-fluorobenzene-1,2,4-triamine
SMILESNc1cc(N)c(NC2CCCCCC2)c(F)c1Cl
InChIInChI=1S/C13H19ClFN3/c14-11-9(16)7-10(17)13(12(11)15)18-8-5-3-1-2-4-6-8/h7-8,18H,1-6,16-17H2
InChIKeyAMLAINDVISJEIL-UHFFFAOYSA-N
MW271.77 g/mol
LogP3.78
Rot. Bonds2

About 5-chloro-1-N-cycloheptyl-6-fluorobenzene-1,2,4-triamine

5-chloro-1-N-cycloheptyl-6-fluorobenzene-1,2,4-triamine (PubChem CID 103552637) has the molecular formula C13H19ClFN3 and a molecular weight of 271.77 g/mol. Its IUPAC name is 5-chloro-1-N-cycloheptyl-6-fluorobenzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-1-N-cycloheptyl-6-fluorobenzene-1,2,4-triamine
PubChem CID103552637
Molecular FormulaC13H19ClFN3
Molecular Weight271.77 g/mol
Exact Mass271.13
IUPAC Name5-chloro-1-N-cycloheptyl-6-fluorobenzene-1,2,4-triamine
SMILESNc1cc(N)c(NC2CCCCCC2)c(F)c1Cl
InChIInChI=1S/C13H19ClFN3/c14-11-9(16)7-10(17)13(12(11)15)18-8-5-3-1-2-4-6-8/h7-8,18H,1-6,16-17H2
InChIKeyAMLAINDVISJEIL-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
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-methylcyclohexyl)benzene-1,2,4-triamine
CID 103552657
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
5-chloro-1-N-(3-ethylcyclohexyl)-6-fluorobenzene-1,2,4-triamine
CID 103553200
5-chloro-6-fluoro-1-N-(3-methylcyclobutyl)benzene-1,2,4-triamine
CID 103553462
5-chloro-1-N-(1,2-dimethylpiperidin-4-yl)-6-fluorobenzene-1,2,4-triamine
CID 103553346
5-chloro-1-N-(3-cyclopentylpropyl)-6-fluorobenzene-1,2,4-triamine
CID 106007183
3-amino-5-chloro-4-(cyclohexylamino)benzamide
CID 56773062
5-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)-6-fluorobenzene-1,2,4-triamine
CID 103553163
5-chloro-6-fluoro-1-N-(2-piperidin-1-ylethyl)benzene-1,2,4-triamine
CID 103552870
5-chloro-1-N-cycloheptyl-6-fluoro-1-N-methylbenzene-1,2,4-triamine
CID 103552727
4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine
CID 66077964

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-N-cycloheptyl-6-fluorobenzene-1,2,4-triamine?
The IUPAC name of 5-chloro-1-N-cycloheptyl-6-fluorobenzene-1,2,4-triamine (CID 103552637) is 5-chloro-1-N-cycloheptyl-6-fluorobenzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-1-N-cycloheptyl-6-fluorobenzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-1-N-cycloheptyl-6-fluorobenzene-1,2,4-triamine is Nc1cc(N)c(NC2CCCCCC2)c(F)c1Cl.
What is the InChIKey of 5-chloro-1-N-cycloheptyl-6-fluorobenzene-1,2,4-triamine?
The InChIKey is AMLAINDVISJEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN3/c14-11-9(16)7-10(17)13(12(11)15)18-8-5-3-1-2-4-6-8/h7-8,18H,1-6,16-17H2.
What are the key properties of 5-chloro-1-N-cycloheptyl-6-fluorobenzene-1,2,4-triamine?
5-chloro-1-N-cycloheptyl-6-fluorobenzene-1,2,4-triamine has a molecular weight of 271.77 g/mol, XLogP of 3.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-N-cycloheptyl-6-fluorobenzene-1,2,4-triamine is sourced from PubChem (CID 103552637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).