N-ethyl-1-(3-fluoro-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine

C11H18FN3 — CID 104738490

IUPACN-ethyl-1-(3-fluoro-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine
SMILESCCNC(CN(C)C)c1ccncc1F
InChIInChI=1S/C11H18FN3/c1-4-14-11(8-15(2)3)9-5-6-13-7-10(9)12/h5-7,11,14H,4,8H2,1-3H3
InChIKeyRXONKEPBJIXRJE-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.43
Rot. Bonds5

About N-ethyl-1-(3-fluoro-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine

N-ethyl-1-(3-fluoro-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 104738490) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID104738490
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC NameN-ethyl-1-(3-fluoro-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine
SMILESCCNC(CN(C)C)c1ccncc1F
InChIInChI=1S/C11H18FN3/c1-4-14-11(8-15(2)3)9-5-6-13-7-10(9)12/h5-7,11,14H,4,8H2,1-3H3
InChIKeyRXONKEPBJIXRJE-UHFFFAOYSA-N
XLogP1.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3-pyridinyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79092538
N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine
CID 114200992
1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79093891
1-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 104738429
1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 104738479
N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 104738170
N-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine
CID 105038119
N-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 79092535
N-[(3-fluoro-4-pyridinyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105181971
N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
CID 104738234
N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 105038430
N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038311

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluoro-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(3-fluoro-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine (CID 104738490) is N-ethyl-1-(3-fluoro-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(3-fluoro-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(3-fluoro-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine is CCNC(CN(C)C)c1ccncc1F.
What is the InChIKey of N-ethyl-1-(3-fluoro-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is RXONKEPBJIXRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-4-14-11(8-15(2)3)9-5-6-13-7-10(9)12/h5-7,11,14H,4,8H2,1-3H3.
What are the key properties of N-ethyl-1-(3-fluoro-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
N-ethyl-1-(3-fluoro-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 211.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluoro-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 104738490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).