N-[[3-fluoro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine

C16H21FN2OS — CID 105391410

IUPACN-[[3-fluoro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccnc(OCCc2cccs2)c1F
InChIInChI=1S/C16H21FN2OS/c1-12(2)10-18-11-13-5-7-19-16(15(13)17)20-8-6-14-4-3-9-21-14/h3-5,7,9,12,18H,6,8,10-11H2,1-2H3
InChIKeyVACNPUPWGQTXOG-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.65
Rot. Bonds8

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

N-[[3-fluoro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 105391410) has the molecular formula C16H21FN2OS and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[[3-fluoro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID105391410
Molecular FormulaC16H21FN2OS
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC NameN-[[3-fluoro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccnc(OCCc2cccs2)c1F
InChIInChI=1S/C16H21FN2OS/c1-12(2)10-18-11-13-5-7-19-16(15(13)17)20-8-6-14-4-3-9-21-14/h3-5,7,9,12,18H,6,8,10-11H2,1-2H3
InChIKeyVACNPUPWGQTXOG-UHFFFAOYSA-N
XLogP3.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391402
2-methyl-N-[[6-methyl-4-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253361
N-[[3-fluoro-2-(1-methoxypropan-2-yloxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391503
1-[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]-N-methylmethanamine
CID 105391405
N-[[5-chloro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928581
N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62321402
N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105390709
2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81250459
N-[[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63776384
3-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethoxy)butan-1-amine
CID 62486334
2-methyl-N-[[3-(2-thiophen-2-ylethoxymethyl)phenyl]methyl]propan-1-amine
CID 62485809
N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391526

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-fluoro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 105391410) is N-[[3-fluoro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-fluoro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-fluoro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccnc(OCCc2cccs2)c1F.
What is the InChIKey of N-[[3-fluoro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is VACNPUPWGQTXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2OS/c1-12(2)10-18-11-13-5-7-19-16(15(13)17)20-8-6-14-4-3-9-21-14/h3-5,7,9,12,18H,6,8,10-11H2,1-2H3.
What are the key properties of N-[[3-fluoro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[3-fluoro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 308.42 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 105391410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).