1-(5-fluoro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine

C13H22FN3O — CID 83126860

IUPAC1-(5-fluoro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
SMILESCOCC(C)N(C)CCC(N)c1ccc(F)cn1
InChIInChI=1S/C13H22FN3O/c1-10(9-18-3)17(2)7-6-12(15)13-5-4-11(14)8-16-13/h4-5,8,10,12H,6-7,9,15H2,1-3H3
InChIKeyFLAUNAJEJBEWDM-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.58
Rot. Bonds7

About 1-(5-fluoro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine

1-(5-fluoro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine (PubChem CID 83126860) has the molecular formula C13H22FN3O and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
PubChem CID83126860
Molecular FormulaC13H22FN3O
Molecular Weight255.34 g/mol
Exact Mass255.17
IUPAC Name1-(5-fluoro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
SMILESCOCC(C)N(C)CCC(N)c1ccc(F)cn1
InChIInChI=1S/C13H22FN3O/c1-10(9-18-3)17(2)7-6-12(15)13-5-4-11(14)8-16-13/h4-5,8,10,12H,6-7,9,15H2,1-3H3
InChIKeyFLAUNAJEJBEWDM-UHFFFAOYSA-N
XLogP1.58
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 83126711
1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 83126002
N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
CID 83126144
1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 83126296
2-ethoxy-1-(5-fluoro-2-pyridinyl)ethanamine
CID 68847370
2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol
CID 83125861
2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-propan-2-ylamino]ethanol
CID 83126362
1-(5-fluoro-2-pyridinyl)tridecan-1-amine
CID 79705681
1-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]-2-methylpropan-2-ol
CID 83126304
3-[ethyl(1-methoxypropan-2-yl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941535
N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
CID 83126650
N'-[(5-chlorothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 83125936

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine (CID 83126860) is 1-(5-fluoro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine is COCC(C)N(C)CCC(N)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is FLAUNAJEJBEWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3O/c1-10(9-18-3)17(2)7-6-12(15)13-5-4-11(14)8-16-13/h4-5,8,10,12H,6-7,9,15H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine?
1-(5-fluoro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 255.34 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 83126860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).