N-[[2-(2-ethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine

C16H26FN3S — CID 105390466

IUPACN-[[2-(2-ethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CN(c2nccc(CNCC(C)C)c2F)CCS1
InChIInChI=1S/C16H26FN3S/c1-4-14-11-20(7-8-21-14)16-15(17)13(5-6-19-16)10-18-9-12(2)3/h5-6,12,14,18H,4,7-11H2,1-3H3
InChIKeyKCSMPHDDPLCHMD-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.30
Rot. Bonds6

About N-[[2-(2-ethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[2-(2-ethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 105390466) has the molecular formula C16H26FN3S and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[[2-(2-ethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-ethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID105390466
Molecular FormulaC16H26FN3S
Molecular Weight311.47 g/mol
Exact Mass311.18
IUPAC NameN-[[2-(2-ethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CN(c2nccc(CNCC(C)C)c2F)CCS1
InChIInChI=1S/C16H26FN3S/c1-4-14-11-20(7-8-21-14)16-15(17)13(5-6-19-16)10-18-9-12(2)3/h5-6,12,14,18H,4,7-11H2,1-3H3
InChIKeyKCSMPHDDPLCHMD-UHFFFAOYSA-N
XLogP3.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105388871
N-[[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105388788
N-[(3-fluoro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105388882
N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105388710
N-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105390385
N-[[3-fluoro-2-(2-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105389986
N-[[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 107459593
N-[[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105390663
N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105389675
N-[[3-fluoro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105388775
1-[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 105389828
N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105388870

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2-ethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 105390466) is N-[[2-(2-ethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2-ethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2-ethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine is CCC1CN(c2nccc(CNCC(C)C)c2F)CCS1.
What is the InChIKey of N-[[2-(2-ethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is KCSMPHDDPLCHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3S/c1-4-14-11-20(7-8-21-14)16-15(17)13(5-6-19-16)10-18-9-12(2)3/h5-6,12,14,18H,4,7-11H2,1-3H3.
What are the key properties of N-[[2-(2-ethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[2-(2-ethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 311.47 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 105390466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).