5-chloro-1-N-[5-(diethylamino)pentan-2-yl]-6-fluorobenzene-1,2,4-triamine

C15H26ClFN4 — CID 103552520

IUPAC5-chloro-1-N-[5-(diethylamino)pentan-2-yl]-6-fluorobenzene-1,2,4-triamine
SMILESCCN(CC)CCCC(C)Nc1c(N)cc(N)c(Cl)c1F
InChIInChI=1S/C15H26ClFN4/c1-4-21(5-2)8-6-7-10(3)20-15-12(19)9-11(18)13(16)14(15)17/h9-10,20H,4-8,18-19H2,1-3H3
InChIKeyDCLWXJSKJSXOGI-UHFFFAOYSA-N
MW316.85 g/mol
LogP3.57
Rot. Bonds8

About 5-chloro-1-N-[5-(diethylamino)pentan-2-yl]-6-fluorobenzene-1,2,4-triamine

5-chloro-1-N-[5-(diethylamino)pentan-2-yl]-6-fluorobenzene-1,2,4-triamine (PubChem CID 103552520) has the molecular formula C15H26ClFN4 and a molecular weight of 316.85 g/mol. Its IUPAC name is 5-chloro-1-N-[5-(diethylamino)pentan-2-yl]-6-fluorobenzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-1-N-[5-(diethylamino)pentan-2-yl]-6-fluorobenzene-1,2,4-triamine
PubChem CID103552520
Molecular FormulaC15H26ClFN4
Molecular Weight316.85 g/mol
Exact Mass316.18
IUPAC Name5-chloro-1-N-[5-(diethylamino)pentan-2-yl]-6-fluorobenzene-1,2,4-triamine
SMILESCCN(CC)CCCC(C)Nc1c(N)cc(N)c(Cl)c1F
InChIInChI=1S/C15H26ClFN4/c1-4-21(5-2)8-6-7-10(3)20-15-12(19)9-11(18)13(16)14(15)17/h9-10,20H,4-8,18-19H2,1-3H3
InChIKeyDCLWXJSKJSXOGI-UHFFFAOYSA-N
XLogP3.57
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-1-N-[5-(diethylamino)pentan-2-yl]-6-fluorobenzene-1,2,4-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

o-Phenylenediamine, 4-chloro-N-(2-(diethylamino)ethyl)-
CID 379214
4-Chloro-N~1~-(propan-2-yl)benzene-1,2-diamine
CID 2735745
2-Chloro-5-fluoro-4-piperazin-1-ylaniline
CID 19606804
4-chloro-2-N-ethyl-5-fluorobenzene-1,2-diamine
CID 59177249
4-chloro-5-fluoro-1-N-methylbenzene-1,2-diamine
CID 66078158
5-Chloro-4-fluoro-2-(4-methylpiperazin-1-yl)aniline
CID 66079118
4-chloro-N2-cyclopropyl-5-fluoro-N2-methyl-benzene-1,2-diamine
CID 67320692
2-N-(3-chloro-4-fluorophenyl)-1-N,1-N-dimethylcyclohexane-1,2,4-triamine
CID 67628458
2-N-(3-chloro-4-fluorophenyl)cyclohexane-1,2,4-triamine
CID 67628830
5-Chloro-2-methylamino-4-(3-(trifluoromethyl)piperidin-1-yl)aniline
CID 67957692
4-Chloro-2-methylamino-5-(4-trifluoromethyl-piperidin-1-yl)aniline
CID 67957790
5-Chloro-2-methylamino-4-(4-fluoropiperidin-1-yl)-aniline
CID 67957985

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-N-[5-(diethylamino)pentan-2-yl]-6-fluorobenzene-1,2,4-triamine?
The IUPAC name of 5-chloro-1-N-[5-(diethylamino)pentan-2-yl]-6-fluorobenzene-1,2,4-triamine (CID 103552520) is 5-chloro-1-N-[5-(diethylamino)pentan-2-yl]-6-fluorobenzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-1-N-[5-(diethylamino)pentan-2-yl]-6-fluorobenzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-1-N-[5-(diethylamino)pentan-2-yl]-6-fluorobenzene-1,2,4-triamine is CCN(CC)CCCC(C)Nc1c(N)cc(N)c(Cl)c1F.
What is the InChIKey of 5-chloro-1-N-[5-(diethylamino)pentan-2-yl]-6-fluorobenzene-1,2,4-triamine?
The InChIKey is DCLWXJSKJSXOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClFN4/c1-4-21(5-2)8-6-7-10(3)20-15-12(19)9-11(18)13(16)14(15)17/h9-10,20H,4-8,18-19H2,1-3H3.
What are the key properties of 5-chloro-1-N-[5-(diethylamino)pentan-2-yl]-6-fluorobenzene-1,2,4-triamine?
5-chloro-1-N-[5-(diethylamino)pentan-2-yl]-6-fluorobenzene-1,2,4-triamine has a molecular weight of 316.85 g/mol, XLogP of 3.57, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-N-[5-(diethylamino)pentan-2-yl]-6-fluorobenzene-1,2,4-triamine is sourced from PubChem (CID 103552520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).