6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine

C16H20FN3 — CID 80785034

IUPAC6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C16H20FN3/c1-2-11-18-15-4-3-5-16(20-15)19-12-10-13-6-8-14(17)9-7-13/h3-9H,2,10-12H2,1H3,(H2,18,19,20)
InChIKeyRFCUZOLWEQIRHP-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.70
Rot. Bonds7

About 6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine

6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine (PubChem CID 80785034) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
PubChem CID80785034
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C16H20FN3/c1-2-11-18-15-4-3-5-16(20-15)19-12-10-13-6-8-14(17)9-7-13/h3-9H,2,10-12H2,1H3,(H2,18,19,20)
InChIKeyRFCUZOLWEQIRHP-UHFFFAOYSA-N
XLogP3.70
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879209
6-N-[(4-ethylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106900926
2-N-tert-butyl-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894693
4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol
CID 80798348
6-N-(2-chloro-5-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 107531766
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80771057
6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-dicarboxamide
CID 109093462
6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80793098
6-N-(2,3-difluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 80798545
5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112953666
2-N-(4-tert-butylphenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894726
6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine
CID 80770551

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine (CID 80785034) is 6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(NCCc2ccc(F)cc2)n1.
What is the InChIKey of 6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine?
The InChIKey is RFCUZOLWEQIRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-2-11-18-15-4-3-5-16(20-15)19-12-10-13-6-8-14(17)9-7-13/h3-9H,2,10-12H2,1H3,(H2,18,19,20).
What are the key properties of 6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine?
6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine has a molecular weight of 273.36 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80785034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).