N'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine

C14H16FN3 — CID 43136242

IUPACN'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine
SMILESNCCCN(c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3/c15-12-2-4-13(5-3-12)18(11-1-8-16)14-6-9-17-10-7-14/h2-7,9-10H,1,8,11,16H2
InChIKeyKFBGUGMHZRUQIF-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.71
Rot. Bonds5

About N'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine

N'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine (PubChem CID 43136242) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine
PubChem CID43136242
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine
SMILESNCCCN(c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3/c15-12-2-4-13(5-3-12)18(11-1-8-16)14-6-9-17-10-7-14/h2-7,9-10H,1,8,11,16H2
InChIKeyKFBGUGMHZRUQIF-UHFFFAOYSA-N
XLogP2.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine?
The IUPAC name of N'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine (CID 43136242) is N'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine?
The canonical SMILES for N'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine is NCCCN(c1ccncc1)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine?
The InChIKey is KFBGUGMHZRUQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c15-12-2-4-13(5-3-12)18(11-1-8-16)14-6-9-17-10-7-14/h2-7,9-10H,1,8,11,16H2.
What are the key properties of N'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine?
N'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine has a molecular weight of 245.30 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine is sourced from PubChem (CID 43136242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).