5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine

C15H18FN3 — CID 104532100

IUPAC5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2cc(C)ccc2F)c1
InChIInChI=1S/C15H18FN3/c1-3-6-18-12-8-13(10-17-9-12)19-15-7-11(2)4-5-14(15)16/h4-5,7-10,18-19H,3,6H2,1-2H3
InChIKeyLQOCIFADHZRVLD-UHFFFAOYSA-N
MW259.33 g/mol
LogP4.09
Rot. Bonds5

About 5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine

5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine (PubChem CID 104532100) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
PubChem CID104532100
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2cc(C)ccc2F)c1
InChIInChI=1S/C15H18FN3/c1-3-6-18-12-8-13(10-17-9-12)19-15-7-11(2)4-5-14(15)16/h4-5,7-10,18-19H,3,6H2,1-2H3
InChIKeyLQOCIFADHZRVLD-UHFFFAOYSA-N
XLogP4.09
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532272
3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine
CID 104532161
5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532088
5-N-(2,4-dichlorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532123
5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532378
5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104533102
5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine
CID 104535267
5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532269
5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532112
5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532143
N-butyl-2-fluoro-5-methylaniline
CID 28877664
2-fluoro-N-(4-fluorophenyl)-5-methylaniline
CID 56637557

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine (CID 104532100) is 5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(Nc2cc(C)ccc2F)c1.
What is the InChIKey of 5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine?
The InChIKey is LQOCIFADHZRVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-3-6-18-12-8-13(10-17-9-12)19-15-7-11(2)4-5-14(15)16/h4-5,7-10,18-19H,3,6H2,1-2H3.
What are the key properties of 5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine?
5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine has a molecular weight of 259.33 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104532100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).