5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine

C15H18FN3O — CID 104535772

IUPAC5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(Nc2ccc(OCC)c(F)c2)c1
InChIInChI=1S/C15H18FN3O/c1-3-18-12-7-13(10-17-9-12)19-11-5-6-15(20-4-2)14(16)8-11/h5-10,18-19H,3-4H2,1-2H3
InChIKeySZRWCIZYTVXOLZ-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.79
Rot. Bonds6

About 5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine

5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine (PubChem CID 104535772) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine
PubChem CID104535772
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(Nc2ccc(OCC)c(F)c2)c1
InChIInChI=1S/C15H18FN3O/c1-3-18-12-7-13(10-17-9-12)19-11-5-6-15(20-4-2)14(16)8-11/h5-10,18-19H,3-4H2,1-2H3
InChIKeySZRWCIZYTVXOLZ-UHFFFAOYSA-N
XLogP3.79
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-ethyl-3-fluoroaniline
CID 82490729
5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine
CID 113399696
N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696
N-(2-chloroethyl)-4-ethoxy-3-fluoroaniline
CID 115214595
5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532261
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine
CID 104532189
5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine
CID 104532247
5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532357
3-N-ethyl-5-N-phenylpyridine-3,5-diamine
CID 104532192
4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine
CID 113399790
3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine
CID 104532249

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine?
The IUPAC name of 5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine (CID 104535772) is 5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine is CCNc1cncc(Nc2ccc(OCC)c(F)c2)c1.
What is the InChIKey of 5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine?
The InChIKey is SZRWCIZYTVXOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-3-18-12-7-13(10-17-9-12)19-11-5-6-15(20-4-2)14(16)8-11/h5-10,18-19H,3-4H2,1-2H3.
What are the key properties of 5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine?
5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine has a molecular weight of 275.33 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine is sourced from PubChem (CID 104535772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).