N,N'-diethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine

C16H28FN3O — CID 115941310

IUPACN,N'-diethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine
SMILESCCNC(c1ccc(F)cn1)C(C)CN(CC)CCOC
InChIInChI=1S/C16H28FN3O/c1-5-18-16(15-8-7-14(17)11-19-15)13(3)12-20(6-2)9-10-21-4/h7-8,11,13,16,18H,5-6,9-10,12H2,1-4H3
InChIKeyVRPUKGPDBAEHTN-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.48
Rot. Bonds10

About N,N'-diethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine

N,N'-diethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine (PubChem CID 115941310) has the molecular formula C16H28FN3O and a molecular weight of 297.42 g/mol. Its IUPAC name is N,N'-diethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-diethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine
PubChem CID115941310
Molecular FormulaC16H28FN3O
Molecular Weight297.42 g/mol
Exact Mass297.22
IUPAC NameN,N'-diethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine
SMILESCCNC(c1ccc(F)cn1)C(C)CN(CC)CCOC
InChIInChI=1S/C16H28FN3O/c1-5-18-16(15-8-7-14(17)11-19-15)13(3)12-20(6-2)9-10-21-4/h7-8,11,13,16,18H,5-6,9-10,12H2,1-4H3
InChIKeyVRPUKGPDBAEHTN-UHFFFAOYSA-N
XLogP2.48
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine
CID 112586268
2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol
CID 104554713
3-[ethyl(2-methoxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586213
N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 83126155
N'-butyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropane-1,3-diamine
CID 112586264
3-[butan-2-yl(2-methoxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941567
3-[3-(dimethylamino)propyl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 102997242
1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine
CID 112586269
3-(3,4-dimethylpyrrolidin-1-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
CID 115941444
3-[ethyl(1-methoxypropan-2-yl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941535
1-(5-fluoro-2-pyridinyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-ol
CID 83111321
1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol
CID 83126298

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine?
The IUPAC name of N,N'-diethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine (CID 115941310) is N,N'-diethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for N,N'-diethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for N,N'-diethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine is CCNC(c1ccc(F)cn1)C(C)CN(CC)CCOC.
What is the InChIKey of N,N'-diethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine?
The InChIKey is VRPUKGPDBAEHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FN3O/c1-5-18-16(15-8-7-14(17)11-19-15)13(3)12-20(6-2)9-10-21-4/h7-8,11,13,16,18H,5-6,9-10,12H2,1-4H3.
What are the key properties of N,N'-diethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine?
N,N'-diethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine has a molecular weight of 297.42 g/mol, XLogP of 2.48, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 115941310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).