6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine

C16H20ClN3 — CID 80802405

IUPAC6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NC(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C16H20ClN3/c1-3-10-18-15-8-5-9-16(20-15)19-12(2)13-6-4-7-14(17)11-13/h4-9,11-12H,3,10H2,1-2H3,(H2,18,19,20)
InChIKeyIIRJUUSMGMRUIO-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.73
Rot. Bonds6

About 6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine

6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine (PubChem CID 80802405) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
PubChem CID80802405
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NC(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C16H20ClN3/c1-3-10-18-15-8-5-9-16(20-15)19-12(2)13-6-4-7-14(17)11-13/h4-9,11-12H,3,10H2,1-2H3,(H2,18,19,20)
InChIKeyIIRJUUSMGMRUIO-UHFFFAOYSA-N
XLogP4.73
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80784552
6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80784415
6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine
CID 80646586
4-N-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80783654
6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine
CID 80770551
6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80802273
2-tert-butyl-4-N-[1-(3-chlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80961780
6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine
CID 80783247
6-N-(2-phenylpropyl)-2-N-propylpyridine-2,6-diamine
CID 104592500
4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029
4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol
CID 106358070
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine
CID 80809197

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine (CID 80802405) is 6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(NC(C)c2cccc(Cl)c2)n1.
What is the InChIKey of 6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine?
The InChIKey is IIRJUUSMGMRUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-3-10-18-15-8-5-9-16(20-15)19-12(2)13-6-4-7-14(17)11-13/h4-9,11-12H,3,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine?
6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine has a molecular weight of 289.81 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80802405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).