4-[2-[3-(3-fluorophenyl)phenyl]ethyl]pyridine-2,3,6-triamine

C19H19FN4 — CID 126680558

IUPAC4-[2-[3-(3-fluorophenyl)phenyl]ethyl]pyridine-2,3,6-triamine
SMILESNc1cc(CCc2cccc(-c3cccc(F)c3)c2)c(N)c(N)n1
InChIInChI=1S/C19H19FN4/c20-16-6-2-5-14(10-16)13-4-1-3-12(9-13)7-8-15-11-17(21)24-19(23)18(15)22/h1-6,9-11H,7-8,22H2,(H4,21,23,24)
InChIKeyAQUHEEXKBNFLOA-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.42
Rot. Bonds4

About 4-[2-[3-(3-fluorophenyl)phenyl]ethyl]pyridine-2,3,6-triamine

4-[2-[3-(3-fluorophenyl)phenyl]ethyl]pyridine-2,3,6-triamine (PubChem CID 126680558) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-[2-[3-(3-fluorophenyl)phenyl]ethyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name4-[2-[3-(3-fluorophenyl)phenyl]ethyl]pyridine-2,3,6-triamine
PubChem CID126680558
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name4-[2-[3-(3-fluorophenyl)phenyl]ethyl]pyridine-2,3,6-triamine
SMILESNc1cc(CCc2cccc(-c3cccc(F)c3)c2)c(N)c(N)n1
InChIInChI=1S/C19H19FN4/c20-16-6-2-5-14(10-16)13-4-1-3-12(9-13)7-8-15-11-17(21)24-19(23)18(15)22/h1-6,9-11H,7-8,22H2,(H4,21,23,24)
InChIKeyAQUHEEXKBNFLOA-UHFFFAOYSA-N
XLogP3.42
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Methylphenyl)-6-phenylpyridin-2-amine
CID 2113077
NOS Inhibitor, 3h
CID 46892701
6-(2-{3-[2-(2-Amino-6-Methylpyridin-4-Yl)ethyl]phenyl}ethyl)-4-Methylpyridin-2-Amine
CID 46892821
6,6'-[(5-Aminobenzene-1,3-Diyl)diethane-2,1-Diyl]bis(4-Methylpyridin-2-Amine)
CID 49852670
6,6'-{[5-(Aminomethyl)benzene-1,3-Diyl]diethane-2,1-Diyl}bis(4-Methylpyridin-2-Amine)
CID 71260796
6,6'-{[5-(3-Aminopropyl)benzene-1,3-Diyl]diethane-2,1-Diyl}bis(4-Methylpyridin-2-Amine)
CID 71304800
6-[(2s)-2-Amino-2-{3-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]phenyl}ethyl]-4-Methylpyridin-2-Amine
CID 73659112
(R)-6-(2-Amino-2-(3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)phenyl)ethyl)-4-Methylpyridin-2-Amine
CID 73659113
N1-(3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)-5-(Trifluoromethyl)phenyl)-N1,N2-Dimethylethane-1,2-Diamine
CID 91819607
N1-(3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)-5-Fluorophenyl)-N1,N2-Dimethylethane-1,2-Diamine
CID 91819608
6-(2-{3-Fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine
CID 130449136
6-(2-{3-[3-(Dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine
CID 130449158

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(3-fluorophenyl)phenyl]ethyl]pyridine-2,3,6-triamine?
The IUPAC name of 4-[2-[3-(3-fluorophenyl)phenyl]ethyl]pyridine-2,3,6-triamine (CID 126680558) is 4-[2-[3-(3-fluorophenyl)phenyl]ethyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 4-[2-[3-(3-fluorophenyl)phenyl]ethyl]pyridine-2,3,6-triamine?
The canonical SMILES for 4-[2-[3-(3-fluorophenyl)phenyl]ethyl]pyridine-2,3,6-triamine is Nc1cc(CCc2cccc(-c3cccc(F)c3)c2)c(N)c(N)n1.
What is the InChIKey of 4-[2-[3-(3-fluorophenyl)phenyl]ethyl]pyridine-2,3,6-triamine?
The InChIKey is AQUHEEXKBNFLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c20-16-6-2-5-14(10-16)13-4-1-3-12(9-13)7-8-15-11-17(21)24-19(23)18(15)22/h1-6,9-11H,7-8,22H2,(H4,21,23,24).
What are the key properties of 4-[2-[3-(3-fluorophenyl)phenyl]ethyl]pyridine-2,3,6-triamine?
4-[2-[3-(3-fluorophenyl)phenyl]ethyl]pyridine-2,3,6-triamine has a molecular weight of 322.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(3-fluorophenyl)phenyl]ethyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 126680558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).