6-N-(3-chloro-2-methylphenyl)-2-N-propylpyridine-2,6-diamine

C15H18ClN3 — CID 80762738

IUPAC6-N-(3-chloro-2-methylphenyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(Nc2cccc(Cl)c2C)n1
InChIInChI=1S/C15H18ClN3/c1-3-10-17-14-8-5-9-15(19-14)18-13-7-4-6-12(16)11(13)2/h4-9H,3,10H2,1-2H3,(H2,17,18,19)
InChIKeyKPXNERNQMIYFPY-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.61
Rot. Bonds5

About 6-N-(3-chloro-2-methylphenyl)-2-N-propylpyridine-2,6-diamine

6-N-(3-chloro-2-methylphenyl)-2-N-propylpyridine-2,6-diamine (PubChem CID 80762738) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 6-N-(3-chloro-2-methylphenyl)-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-chloro-2-methylphenyl)-2-N-propylpyridine-2,6-diamine
PubChem CID80762738
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name6-N-(3-chloro-2-methylphenyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(Nc2cccc(Cl)c2C)n1
InChIInChI=1S/C15H18ClN3/c1-3-10-17-14-8-5-9-15(19-14)18-13-7-4-6-12(16)11(13)2/h4-9H,3,10H2,1-2H3,(H2,17,18,19)
InChIKeyKPXNERNQMIYFPY-UHFFFAOYSA-N
XLogP4.61
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(2,3-dichlorophenyl)-2-N-propylpyridine-2,6-diamine
CID 80754904
6-N-(3-chloro-2-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80763212
6-N-(2,3-difluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 80798545
6-N-(2-chloro-5-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 107531766
6-N-(2-ethoxyphenyl)-2-N-propylpyridine-2,6-diamine
CID 80763066
4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754827
6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 103481895
3-N-(3-chloro-2-methylphenyl)-5-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112959828
4-N-(3-chloro-2-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80762805
6-N-(3-chloro-2-methylphenyl)pyridine-2,3,6-triamine
CID 79822210
2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine
CID 80814736
2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881842

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chloro-2-methylphenyl)-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-(3-chloro-2-methylphenyl)-2-N-propylpyridine-2,6-diamine (CID 80762738) is 6-N-(3-chloro-2-methylphenyl)-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3-chloro-2-methylphenyl)-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(3-chloro-2-methylphenyl)-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(Nc2cccc(Cl)c2C)n1.
What is the InChIKey of 6-N-(3-chloro-2-methylphenyl)-2-N-propylpyridine-2,6-diamine?
The InChIKey is KPXNERNQMIYFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-3-10-17-14-8-5-9-15(19-14)18-13-7-4-6-12(16)11(13)2/h4-9H,3,10H2,1-2H3,(H2,17,18,19).
What are the key properties of 6-N-(3-chloro-2-methylphenyl)-2-N-propylpyridine-2,6-diamine?
6-N-(3-chloro-2-methylphenyl)-2-N-propylpyridine-2,6-diamine has a molecular weight of 275.78 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chloro-2-methylphenyl)-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80762738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).