5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine

C14H16FN3 — CID 113424172

IUPAC5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine
SMILESCc1ccc(C(C)Nc2cncc(N)c2)cc1F
InChIInChI=1S/C14H16FN3/c1-9-3-4-11(5-14(9)15)10(2)18-13-6-12(16)7-17-8-13/h3-8,10,18H,16H2,1-2H3
InChIKeyLJRKIHBKHFLIRQ-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.28
Rot. Bonds3

About 5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine

5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine (PubChem CID 113424172) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine
PubChem CID113424172
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine
SMILESCc1ccc(C(C)Nc2cncc(N)c2)cc1F
InChIInChI=1S/C14H16FN3/c1-9-3-4-11(5-14(9)15)10(2)18-13-6-12(16)7-17-8-13/h3-8,10,18H,16H2,1-2H3
InChIKeyLJRKIHBKHFLIRQ-UHFFFAOYSA-N
XLogP3.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine
CID 107587984
N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline
CID 43110873
3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine
CID 112675991
2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
CID 107643680
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329097
6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80839673
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114448724
5-N-butan-2-ylpyridine-3,5-diamine
CID 104532548
5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 80926777
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260425
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline
CID 43096117

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine?
The IUPAC name of 5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine (CID 113424172) is 5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine.
What is the SMILES notation for 5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine?
The canonical SMILES for 5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine is Cc1ccc(C(C)Nc2cncc(N)c2)cc1F.
What is the InChIKey of 5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine?
The InChIKey is LJRKIHBKHFLIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-9-3-4-11(5-14(9)15)10(2)18-13-6-12(16)7-17-8-13/h3-8,10,18H,16H2,1-2H3.
What are the key properties of 5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine?
5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine has a molecular weight of 245.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine is sourced from PubChem (CID 113424172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).