N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(furan-2-ylmethyl)-N-methylpropane-1,3-diamine

C16H22FN3O — CID 83109122

IUPACN'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(furan-2-ylmethyl)-N-methylpropane-1,3-diamine
SMILESCCN(CCC(NC)c1ccc(F)cn1)Cc1ccco1
InChIInChI=1S/C16H22FN3O/c1-3-20(12-14-5-4-10-21-14)9-8-15(18-2)16-7-6-13(17)11-19-16/h4-7,10-11,15,18H,3,8-9,12H2,1-2H3
InChIKeyFEIOCDZIJKOFEM-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.99
Rot. Bonds8

About N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(furan-2-ylmethyl)-N-methylpropane-1,3-diamine

N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(furan-2-ylmethyl)-N-methylpropane-1,3-diamine (PubChem CID 83109122) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(furan-2-ylmethyl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(furan-2-ylmethyl)-N-methylpropane-1,3-diamine
PubChem CID83109122
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(furan-2-ylmethyl)-N-methylpropane-1,3-diamine
SMILESCCN(CCC(NC)c1ccc(F)cn1)Cc1ccco1
InChIInChI=1S/C16H22FN3O/c1-3-20(12-14-5-4-10-21-14)9-8-15(18-2)16-7-6-13(17)11-19-16/h4-7,10-11,15,18H,3,8-9,12H2,1-2H3
InChIKeyFEIOCDZIJKOFEM-UHFFFAOYSA-N
XLogP2.99
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine
CID 83126725
N'-cyclohexyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine
CID 83110520
1-(5-fluoro-2-pyridinyl)-N-methyldecan-1-amine
CID 79712241
1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 83109313
5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol
CID 107204696
2-(furan-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105177292
2-[[3-(5-fluoro-2-pyridinyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 83109308
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 62845853
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930
N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62463343
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 83125854
2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)ethanol
CID 110010180

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(furan-2-ylmethyl)-N-methylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(furan-2-ylmethyl)-N-methylpropane-1,3-diamine (CID 83109122) is N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(furan-2-ylmethyl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(furan-2-ylmethyl)-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(furan-2-ylmethyl)-N-methylpropane-1,3-diamine is CCN(CCC(NC)c1ccc(F)cn1)Cc1ccco1.
What is the InChIKey of N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(furan-2-ylmethyl)-N-methylpropane-1,3-diamine?
The InChIKey is FEIOCDZIJKOFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-3-20(12-14-5-4-10-21-14)9-8-15(18-2)16-7-6-13(17)11-19-16/h4-7,10-11,15,18H,3,8-9,12H2,1-2H3.
What are the key properties of N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(furan-2-ylmethyl)-N-methylpropane-1,3-diamine?
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(furan-2-ylmethyl)-N-methylpropane-1,3-diamine has a molecular weight of 291.37 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(furan-2-ylmethyl)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 83109122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).