5-chloro-1-N-cyclopentyl-6-fluoro-1-N-(2-methylpropyl)benzene-1,2,4-triamine

C15H23ClFN3 — CID 103553299

IUPAC5-chloro-1-N-cyclopentyl-6-fluoro-1-N-(2-methylpropyl)benzene-1,2,4-triamine
SMILESCC(C)CN(c1c(N)cc(N)c(Cl)c1F)C1CCCC1
InChIInChI=1S/C15H23ClFN3/c1-9(2)8-20(10-5-3-4-6-10)15-12(19)7-11(18)13(16)14(15)17/h7,9-10H,3-6,8,18-19H2,1-2H3
InChIKeyQVAHBUUFEWVYLM-UHFFFAOYSA-N
MW299.82 g/mol
LogP4.05
Rot. Bonds4

About 5-chloro-1-N-cyclopentyl-6-fluoro-1-N-(2-methylpropyl)benzene-1,2,4-triamine

5-chloro-1-N-cyclopentyl-6-fluoro-1-N-(2-methylpropyl)benzene-1,2,4-triamine (PubChem CID 103553299) has the molecular formula C15H23ClFN3 and a molecular weight of 299.82 g/mol. Its IUPAC name is 5-chloro-1-N-cyclopentyl-6-fluoro-1-N-(2-methylpropyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-1-N-cyclopentyl-6-fluoro-1-N-(2-methylpropyl)benzene-1,2,4-triamine
PubChem CID103553299
Molecular FormulaC15H23ClFN3
Molecular Weight299.82 g/mol
Exact Mass299.16
IUPAC Name5-chloro-1-N-cyclopentyl-6-fluoro-1-N-(2-methylpropyl)benzene-1,2,4-triamine
SMILESCC(C)CN(c1c(N)cc(N)c(Cl)c1F)C1CCCC1
InChIInChI=1S/C15H23ClFN3/c1-9(2)8-20(10-5-3-4-6-10)15-12(19)7-11(18)13(16)14(15)17/h7,9-10H,3-6,8,18-19H2,1-2H3
InChIKeyQVAHBUUFEWVYLM-UHFFFAOYSA-N
XLogP4.05
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-N-cyclopentyl-6-fluoro-1-N-(2-methylpropyl)benzene-1,2,4-triamine?
The IUPAC name of 5-chloro-1-N-cyclopentyl-6-fluoro-1-N-(2-methylpropyl)benzene-1,2,4-triamine (CID 103553299) is 5-chloro-1-N-cyclopentyl-6-fluoro-1-N-(2-methylpropyl)benzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-1-N-cyclopentyl-6-fluoro-1-N-(2-methylpropyl)benzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-1-N-cyclopentyl-6-fluoro-1-N-(2-methylpropyl)benzene-1,2,4-triamine is CC(C)CN(c1c(N)cc(N)c(Cl)c1F)C1CCCC1.
What is the InChIKey of 5-chloro-1-N-cyclopentyl-6-fluoro-1-N-(2-methylpropyl)benzene-1,2,4-triamine?
The InChIKey is QVAHBUUFEWVYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN3/c1-9(2)8-20(10-5-3-4-6-10)15-12(19)7-11(18)13(16)14(15)17/h7,9-10H,3-6,8,18-19H2,1-2H3.
What are the key properties of 5-chloro-1-N-cyclopentyl-6-fluoro-1-N-(2-methylpropyl)benzene-1,2,4-triamine?
5-chloro-1-N-cyclopentyl-6-fluoro-1-N-(2-methylpropyl)benzene-1,2,4-triamine has a molecular weight of 299.82 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-N-cyclopentyl-6-fluoro-1-N-(2-methylpropyl)benzene-1,2,4-triamine is sourced from PubChem (CID 103553299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).