N-[(2-fluoro-4-methoxyphenyl)methyl]-1-thiophen-2-ylbutan-1-amine

C16H20FNOS — CID 102876330

IUPACN-[(2-fluoro-4-methoxyphenyl)methyl]-1-thiophen-2-ylbutan-1-amine
SMILESCCCC(NCc1ccc(OC)cc1F)c1cccs1
InChIInChI=1S/C16H20FNOS/c1-3-5-15(16-6-4-9-20-16)18-11-12-7-8-13(19-2)10-14(12)17/h4,6-10,15,18H,3,5,11H2,1-2H3
InChIKeyXFUNBRJGOJJJAL-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.53
Rot. Bonds7

About N-[(2-fluoro-4-methoxyphenyl)methyl]-1-thiophen-2-ylbutan-1-amine

N-[(2-fluoro-4-methoxyphenyl)methyl]-1-thiophen-2-ylbutan-1-amine (PubChem CID 102876330) has the molecular formula C16H20FNOS and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)methyl]-1-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)methyl]-1-thiophen-2-ylbutan-1-amine
PubChem CID102876330
Molecular FormulaC16H20FNOS
Molecular Weight293.41 g/mol
Exact Mass293.12
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)methyl]-1-thiophen-2-ylbutan-1-amine
SMILESCCCC(NCc1ccc(OC)cc1F)c1cccs1
InChIInChI=1S/C16H20FNOS/c1-3-5-15(16-6-4-9-20-16)18-11-12-7-8-13(19-2)10-14(12)17/h4,6-10,15,18H,3,5,11H2,1-2H3
InChIKeyXFUNBRJGOJJJAL-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-thiophen-2-yl-N-[(2,4,5-trifluorophenyl)methyl]butan-1-amine
CID 103792753
N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057095
N-[(3-chloro-2-fluorophenyl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 114487528
N-[(4-bromo-3-fluorophenyl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 81436822
N-[(2-chloro-6-methoxyphenyl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 104815944
3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol
CID 102876674
3-chloro-4-[(1-thiophen-2-ylbutylamino)methyl]benzonitrile
CID 102664299
(1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 96930071
1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
CID 63454808
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 113348876
1-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylpentan-3-amine
CID 114177538

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-1-thiophen-2-ylbutan-1-amine?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-1-thiophen-2-ylbutan-1-amine (CID 102876330) is N-[(2-fluoro-4-methoxyphenyl)methyl]-1-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)methyl]-1-thiophen-2-ylbutan-1-amine?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)methyl]-1-thiophen-2-ylbutan-1-amine is CCCC(NCc1ccc(OC)cc1F)c1cccs1.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)methyl]-1-thiophen-2-ylbutan-1-amine?
The InChIKey is XFUNBRJGOJJJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNOS/c1-3-5-15(16-6-4-9-20-16)18-11-12-7-8-13(19-2)10-14(12)17/h4,6-10,15,18H,3,5,11H2,1-2H3.
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)methyl]-1-thiophen-2-ylbutan-1-amine?
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-thiophen-2-ylbutan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methoxyphenyl)methyl]-1-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 102876330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).