N-[[3-fluoro-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-2-methoxyethanamine

C16H20FNO2S — CID 107689146

IUPACN-[[3-fluoro-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(OCCc2ccsc2)c(F)c1
InChIInChI=1S/C16H20FNO2S/c1-19-8-6-18-11-14-2-3-16(15(17)10-14)20-7-4-13-5-9-21-12-13/h2-3,5,9-10,12,18H,4,6-8,11H2,1H3
InChIKeyDIXWYKDHKBCJMI-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.24
Rot. Bonds9

About N-[[3-fluoro-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-2-methoxyethanamine

N-[[3-fluoro-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-2-methoxyethanamine (PubChem CID 107689146) has the molecular formula C16H20FNO2S and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-2-methoxyethanamine
PubChem CID107689146
Molecular FormulaC16H20FNO2S
Molecular Weight309.41 g/mol
Exact Mass309.12
IUPAC NameN-[[3-fluoro-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(OCCc2ccsc2)c(F)c1
InChIInChI=1S/C16H20FNO2S/c1-19-8-6-18-11-14-2-3-16(15(17)10-14)20-7-4-13-5-9-21-12-13/h2-3,5,9-10,12,18H,4,6-8,11H2,1H3
InChIKeyDIXWYKDHKBCJMI-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60976262
N-[[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]methyl]-2-methoxyethanamine
CID 107689137
N-[(3-fluoro-4-pent-3-ynoxyphenyl)methyl]-2-methoxyethanamine
CID 107689325
N-[[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107689166
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107689136
3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
CID 107689352
N-[[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107697144
N-[[3-fluoro-4-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107688715
N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 107686825
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 107668711
N-[(3-fluoro-4-propan-2-ylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63807890
N-[[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107687145

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-fluoro-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-2-methoxyethanamine (CID 107689146) is N-[[3-fluoro-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-fluoro-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-fluoro-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(OCCc2ccsc2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is DIXWYKDHKBCJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2S/c1-19-8-6-18-11-14-2-3-16(15(17)10-14)20-7-4-13-5-9-21-12-13/h2-3,5,9-10,12,18H,4,6-8,11H2,1H3.
What are the key properties of N-[[3-fluoro-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-2-methoxyethanamine?
N-[[3-fluoro-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 309.41 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 107689146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).