5-chloro-1-N-(3-cyclopentylpropyl)-6-fluorobenzene-1,2,4-triamine

C14H21ClFN3 — CID 106007183

IUPAC5-chloro-1-N-(3-cyclopentylpropyl)-6-fluorobenzene-1,2,4-triamine
SMILESNc1cc(N)c(NCCCC2CCCC2)c(F)c1Cl
InChIInChI=1S/C14H21ClFN3/c15-12-10(17)8-11(18)14(13(12)16)19-7-3-6-9-4-1-2-5-9/h8-9,19H,1-7,17-18H2
InChIKeyVFKYZDQGXUFJOW-UHFFFAOYSA-N
MW285.79 g/mol
LogP4.03
Rot. Bonds5

About 5-chloro-1-N-(3-cyclopentylpropyl)-6-fluorobenzene-1,2,4-triamine

5-chloro-1-N-(3-cyclopentylpropyl)-6-fluorobenzene-1,2,4-triamine (PubChem CID 106007183) has the molecular formula C14H21ClFN3 and a molecular weight of 285.79 g/mol. Its IUPAC name is 5-chloro-1-N-(3-cyclopentylpropyl)-6-fluorobenzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-1-N-(3-cyclopentylpropyl)-6-fluorobenzene-1,2,4-triamine
PubChem CID106007183
Molecular FormulaC14H21ClFN3
Molecular Weight285.79 g/mol
Exact Mass285.14
IUPAC Name5-chloro-1-N-(3-cyclopentylpropyl)-6-fluorobenzene-1,2,4-triamine
SMILESNc1cc(N)c(NCCCC2CCCC2)c(F)c1Cl
InChIInChI=1S/C14H21ClFN3/c15-12-10(17)8-11(18)14(13(12)16)19-7-3-6-9-4-1-2-5-9/h8-9,19H,1-7,17-18H2
InChIKeyVFKYZDQGXUFJOW-UHFFFAOYSA-N
XLogP4.03
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-fluoro-1-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2,4-triamine
CID 103553520
5-chloro-6-fluoro-1-N-(2-piperidin-1-ylethyl)benzene-1,2,4-triamine
CID 103552870
5-chloro-1-N-cycloheptyl-6-fluorobenzene-1,2,4-triamine
CID 103552637
5-chloro-6-fluoro-1-N-(2-methylsulfanylethyl)benzene-1,2,4-triamine
CID 103553150
1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine
CID 114136547
5-chloro-1-N-(3-ethylcyclohexyl)-6-fluorobenzene-1,2,4-triamine
CID 103553200
4-(3-cyclopentylpropylamino)-3,5-difluorobenzenecarbothioamide
CID 106010280
5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine
CID 106007206
5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine
CID 103553524
5-chloro-1-N-[2-[ethyl(methyl)amino]ethyl]-6-fluorobenzene-1,2,4-triamine
CID 103553047
N-cyclopropyl-2-(4,6-diamino-3-chloro-2-fluoroanilino)acetamide
CID 103552696
1-[(4,6-diamino-3-chloro-2-fluoroanilino)methyl]-4-ethylcyclohexan-1-ol
CID 103553214

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-N-(3-cyclopentylpropyl)-6-fluorobenzene-1,2,4-triamine?
The IUPAC name of 5-chloro-1-N-(3-cyclopentylpropyl)-6-fluorobenzene-1,2,4-triamine (CID 106007183) is 5-chloro-1-N-(3-cyclopentylpropyl)-6-fluorobenzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-1-N-(3-cyclopentylpropyl)-6-fluorobenzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-1-N-(3-cyclopentylpropyl)-6-fluorobenzene-1,2,4-triamine is Nc1cc(N)c(NCCCC2CCCC2)c(F)c1Cl.
What is the InChIKey of 5-chloro-1-N-(3-cyclopentylpropyl)-6-fluorobenzene-1,2,4-triamine?
The InChIKey is VFKYZDQGXUFJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN3/c15-12-10(17)8-11(18)14(13(12)16)19-7-3-6-9-4-1-2-5-9/h8-9,19H,1-7,17-18H2.
What are the key properties of 5-chloro-1-N-(3-cyclopentylpropyl)-6-fluorobenzene-1,2,4-triamine?
5-chloro-1-N-(3-cyclopentylpropyl)-6-fluorobenzene-1,2,4-triamine has a molecular weight of 285.79 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-N-(3-cyclopentylpropyl)-6-fluorobenzene-1,2,4-triamine is sourced from PubChem (CID 106007183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).