N'-benzyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-propylpropane-1,3-diamine

C20H28FN3 — CID 113347329

IUPACN'-benzyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)Cc1ccccc1)c1ccc(F)cn1
InChIInChI=1S/C20H28FN3/c1-3-13-22-20(19-11-10-18(21)15-23-19)12-14-24(4-2)16-17-8-6-5-7-9-17/h5-11,15,20,22H,3-4,12-14,16H2,1-2H3
InChIKeyAGUJOYZVRPMGCY-UHFFFAOYSA-N
MW329.46 g/mol
LogP4.17
Rot. Bonds10

About N'-benzyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-propylpropane-1,3-diamine

N'-benzyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-propylpropane-1,3-diamine (PubChem CID 113347329) has the molecular formula C20H28FN3 and a molecular weight of 329.46 g/mol. Its IUPAC name is N'-benzyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-propylpropane-1,3-diamine
PubChem CID113347329
Molecular FormulaC20H28FN3
Molecular Weight329.46 g/mol
Exact Mass329.23
IUPAC NameN'-benzyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)Cc1ccccc1)c1ccc(F)cn1
InChIInChI=1S/C20H28FN3/c1-3-13-22-20(19-11-10-18(21)15-23-19)12-14-24(4-2)16-17-8-6-5-7-9-17/h5-11,15,20,22H,3-4,12-14,16H2,1-2H3
InChIKeyAGUJOYZVRPMGCY-UHFFFAOYSA-N
XLogP4.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(5-fluoro-2-pyridinyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 83109308
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 83125854
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine
CID 83126490
N'-[2-(dimethylamino)ethyl]-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 83111114
1-(5-fluoro-2-pyridinyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79712986
1-(5-fluoro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79713195
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(furan-2-ylmethyl)-N-methylpropane-1,3-diamine
CID 83109122
2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol
CID 83111687
N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine
CID 83126725
N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine
CID 79707449
N-[2-(5-fluoro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 55163375
1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 105395205

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-propylpropane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-propylpropane-1,3-diamine (CID 113347329) is N'-benzyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-propylpropane-1,3-diamine is CCCNC(CCN(CC)Cc1ccccc1)c1ccc(F)cn1.
What is the InChIKey of N'-benzyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-propylpropane-1,3-diamine?
The InChIKey is AGUJOYZVRPMGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3/c1-3-13-22-20(19-11-10-18(21)15-23-19)12-14-24(4-2)16-17-8-6-5-7-9-17/h5-11,15,20,22H,3-4,12-14,16H2,1-2H3.
What are the key properties of N'-benzyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-propylpropane-1,3-diamine?
N'-benzyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-propylpropane-1,3-diamine has a molecular weight of 329.46 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-propylpropane-1,3-diamine is sourced from PubChem (CID 113347329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).