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

C16H20FN3 — CID 80802273

IUPAC6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NC(C)c2ccccc2F)n1
InChIInChI=1S/C16H20FN3/c1-3-11-18-15-9-6-10-16(20-15)19-12(2)13-7-4-5-8-14(13)17/h4-10,12H,3,11H2,1-2H3,(H2,18,19,20)
InChIKeyKYHNWTSDJPBUNT-UHFFFAOYSA-N
MW273.36 g/mol
LogP4.22
Rot. Bonds6

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

6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine (PubChem CID 80802273) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
PubChem CID80802273
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NC(C)c2ccccc2F)n1
InChIInChI=1S/C16H20FN3/c1-3-11-18-15-9-6-10-16(20-15)19-12(2)13-7-4-5-8-14(13)17/h4-10,12H,3,11H2,1-2H3,(H2,18,19,20)
InChIKeyKYHNWTSDJPBUNT-UHFFFAOYSA-N
XLogP4.22
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 63586892
6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine
CID 80770551
6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80802405
6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine
CID 80783247
6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80940133
N-[(1R)-1-(2-fluorophenyl)ethyl]heptan-1-amine
CID 81380794
2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 80802046
6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine
CID 80803403
6-N-(2,3-difluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 80798545
6-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80848647
4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801582
2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783678

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine (CID 80802273) is 6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(NC(C)c2ccccc2F)n1.
What is the InChIKey of 6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine?
The InChIKey is KYHNWTSDJPBUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-3-11-18-15-9-6-10-16(20-15)19-12(2)13-7-4-5-8-14(13)17/h4-10,12H,3,11H2,1-2H3,(H2,18,19,20).
What are the key properties of 6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine?
6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine has a molecular weight of 273.36 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80802273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).